smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c(OC)c1	1086989	NZCZQGXPRXYGJF-LSHDLFTRSA-N	488.298	3.383	50	40	JGGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc3c(c2)OCO3)cc(OC)c1OC	59922552	KRLCIPFMCXXICU-LGJNPRDNSA-N	477.473	3.457	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1cc(C(F)(F)F)ccc1Cl	408680808	GWMOGGDXFPFNLR-IDNXRVBGSA-N	496.663	3.412	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(I)cc1	408922647	PYHYRLQYHSDRGX-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	408961548	MZGOFSVVPQMPAC-DHRITJCHSA-N	499.365	3.035	50	40	JGGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2c(c1)OCCO2)c1cccs1	3185041	GTGMHYPNLHRHOH-RXJBCPCZSA-N	474.542	3.492	50	40	JGGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3OCC(=O)O)c2)c(C)c1	6165948	TYAWLBATHJTMOY-AFUMVMLFSA-N	481.530	3.332	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)cc1	19950823	LXVVNEXTBWIDCS-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)c2ccc(C)cc2)cc1	20061000	SIZVGOUPZXFGAG-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1	58915118	SHVYCXNHRDRQCQ-PTFSYIGCSA-N	468.579	3.408	50	40	JGGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c(C)c(C#N)c1=O	409061443	ZXTGBSLTAVWZGP-JFLMPSFJSA-N	481.472	3.184	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1	900146	VTHIUVYMFSLZJP-UHFFFAOYSA-N	474.546	3.200	50	40	JGGB	
CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)N[P@]1(=O)NCCCO1	4707331	ALDGFHDGYHJBJS-HPGBDJQBSA-N	452.319	3.152	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(O)cc1	8714008	ZESJQBGEEANSQP-WJDWOHSUSA-N	461.952	3.098	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)cc1	9381904	BIALJRHCCWPWJB-UHFFFAOYSA-N	464.569	3.101	50	40	JGGB	
O=C(NNC(=O)[C@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	12735243	UQLLJEGZMFYTBM-QGZVFWFLSA-N	485.949	3.153	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccc(F)cc1	20211852	BCAJCHSKUZTMNN-MFKUBSTISA-N	455.511	3.321	50	40	JGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)c1	33728164	YJBUAIUANYNIIF-KEBDBYFISA-N	470.263	3.090	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1)c1ccccc1	58919146	NIDDNONIRNORRV-BUVRLJJBSA-N	451.504	3.115	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(C)(=O)=O	408772188	FBQWIWRDTPBXJO-KGENOOAVSA-N	468.373	3.073	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccccc1	408778685	WMRBPXAUPMFOKC-HAVVHWLPSA-N	452.492	3.331	50	40	JGGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1	408965464	HRMCYPZPYYPGNT-OYKKKHCWSA-N	455.540	3.296	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OC(C)C	408992631	ULQZVOASZDWQGB-DSLAYPBOSA-N	479.537	3.193	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1	409013688	NHVPQVMGUXLVTC-MTDXEUNCSA-N	475.545	3.169	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc4c3OCCO4)cc2)cc1	409118008	PSFAQGRFRFRKSJ-PCLIKHOPSA-N	465.531	3.355	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1Cl	1529544587	JJZKAKRJQUFZFJ-PXYXSCDOSA-N	486.981	3.225	50	40	JGGB	
CCn1c(NNC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)nc2ccccc2c1=O	9856983	NJPPZBNJUJPMHE-UHFFFAOYSA-N	463.494	3.366	50	40	JGGB	
O=C(NNc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	14895624	XFKSSNHAOWZUSH-VIFPVBQESA-N	467.391	3.065	50	40	JGGB	
COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408676755	NEIJTCHAWOTCEC-ZMOGYAJESA-N	490.354	3.374	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(C)C	408860491	WVODCYMLQNXLAR-ANRKENSESA-N	479.986	3.439	50	40	JGGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC	408921549	CPGXDEWJXLFGHQ-RIYZIHGNSA-N	462.243	3.128	50	40	JGGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2)cc(OC)c1OC	409049878	REGGWJCSEKFSNU-BUHFOSPRSA-N	476.485	3.406	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)cc1	409151656	IIWCJZBLUINGSK-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1	409152464	BEIPYRGSHUYPTI-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1	2621484	ZHJYFXNTVYONRA-UHFFFAOYSA-N	489.937	3.233	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	3085961	SJBJWUQQCVWAEK-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Cl)c1	8440866	DDNVRGQPAUJAIU-WAGPWIPHSA-N	498.391	3.207	50	40	JGGB	
CCCN(CCC)CN1C(=O)/C(=N/NC(=O)c2ccncc2)c2cc(Br)ccc21	13940656	MMSKRJUXZTUFAW-LYBHJNIJSA-N	458.360	3.404	50	40	JGGB	
N[P@](=O)(OCc1ccc([N+](=O)[O-])s1)N(CCBr)CCBr	14128142	LZKGFJPERKWSAN-IBGZPJMESA-N	451.077	3.332	50	40	JGGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1	26966605	NOIXBXNUPAGURJ-KEWOFRHOSA-N	466.950	3.403	50	40	JGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58881709	PWEJIOIKQUORSQ-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)c1	408767845	PVKNWJWXXYGBBL-FSJBWODESA-N	477.926	3.193	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1	409263012	LBSHKKUSCNEHMD-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1	409272444	YTNLARCFEALYLE-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1	8411500	BEWXKIPKSQXURN-MSOLQXFVSA-N	452.312	3.331	50	40	JGGB	
O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)NNC(=O)Cc1ccccc1	8446379	ILOMTKLHVJYESL-UHFFFAOYSA-N	471.586	3.399	50	40	JGGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cc(Br)c(Br)s1	10215783	QPVLFJZEIWSSGK-QMMMGPOBSA-N	473.146	3.373	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2cc(Cl)ccc2OC)cc1OC	19956018	KBXCYIFNQPBMAG-UHFFFAOYSA-N	469.947	3.073	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1OC	20211331	PCVKNQSWYJVSSY-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1O	408753194	IOQSRRWYORFPRE-LSHDLFTRSA-N	477.258	3.083	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)ccc1OC	409311653	GVTFEHSJDOOJTE-FBHDLOMBSA-N	451.273	3.084	50	40	JGGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4ccc(C)c(C)c4)o3)c(C)nc2c1	8437433	RDGXYIQKWVNBSC-MUXKCCDJSA-N	486.532	3.180	50	40	JGGB	
COc1ccccc1C(=O)NNC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	8820657	VFZDTADJGYWGJF-JGEPBQDUSA-N	467.572	3.304	50	40	JGGB	
Cn1nc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c2ccccc2c1=O	12519894	PKRNJEGWAWJEGX-UHFFFAOYSA-N	484.541	3.177	50	40	JGGB	
CC(C)C[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	70701471	MTOTXNDDEBPXOP-UZNVQITHSA-N	497.585	3.133	50	40	JGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(I)c2)c(OC)c1	100035416	NCDDJDKVCADHED-WSDLNYQXSA-N	481.290	3.443	50	40	JGGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408852391	KFOIUYIMPPBMAB-KFKMPVNJSA-N	467.327	3.086	50	40	JGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	408980529	RSRMZUXYOIRBFX-RUDKWAFVSA-N	460.446	3.335	50	40	JGGB	
O=C(N/N=C\c1cc(Br)cc(I)c1O)c1cccc(O)c1	409093571	AKMICYJEBDCTBJ-IDUWFGFVSA-N	461.053	3.229	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c1	409157897	WDBZPGJOLYDIPM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1	409158048	JYTZMGHJPYFJRX-RWPZCVJISA-N	482.581	3.394	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409257966	VKGTVOOUDHHCDY-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1ccc(CC(=O)NN(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1	12799195	ZDYCRMQMTYOFHX-UHFFFAOYSA-N	481.574	3.128	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Br)c2)c(C)c1	16267361	PYIHIQRFOHUKID-SRZZPIQSSA-N	452.374	3.145	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1	20212078	TVMVPDVWBUBAPB-LPYMAVHISA-N	453.948	3.054	50	40	JGGB	
COc1ccc(NCC(=O)NNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1	69923955	XLWMOLOMEODZPW-UHFFFAOYSA-N	485.894	3.238	50	40	JGGB	
O=C(NCc1ccccc1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	408682161	JCGFEGKQBYDRFA-CPPNMTBBSA-N	469.335	3.126	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1C	408911721	OENFAJLITRDRKG-AFUMVMLFSA-N	465.531	3.378	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c(=O)c1C#N	409063204	IPDLPELGZXVLHF-PPDIBHTLSA-N	465.941	3.386	50	40	JGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c2C)c1	409125586	BHJNZYRATJUNSQ-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1	409165745	BEKXDUKWGWDNCJ-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1	409327159	QLQZFSRMHMYHIP-MOPGFXCFSA-N	479.986	3.126	50	40	JGGB	
C[C@@H](C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1C(=O)c2ccccc2C1=O	2621612	ATKQJAZKFZTKBP-HNNXBMFYSA-N	499.552	3.301	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c(=O)c1C#N	2797413	CLWOLLREIBACMD-XODNFHPESA-N	459.550	3.349	50	40	JGGB	
Cc1ccc2c(c1)/C(=N\NC(=O)[C@@H](C)n1c(-c3ccccc3)nc3ccccc3c1=O)C(=O)N2	6162603	JXHAPBVMWVLMSM-MRXNPFEDSA-N	451.486	3.406	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccco3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332919	MYCWFHZIAKFKJN-KCBICPTNSA-N	463.527	3.427	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1O	408749561	QPDCPWGFZJIURW-KEBDBYFISA-N	454.264	3.476	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(Br)cc2)c1C#N	1499519	QPUNQGAYHFVKBA-GZIVZEMBSA-N	496.159	3.462	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OCC	20212487	CRSDFVMBPRDKAS-YDZHTSKRSA-N	467.975	3.362	50	40	JGGB	
O=C(O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	33552140	AKRCLVYJTXFAOB-ZBKNUEDVSA-N	470.663	3.167	50	40	JGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	58881694	NPMREWCDAKQRIP-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccccc1O)Cc1ccccc1	107722501	WPRXKBUUQLMKNZ-MYYYXRDXSA-N	467.547	3.050	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I	409233835	HYLSMBRWOIABFG-JJFYIABZSA-N	484.265	3.065	50	40	JGGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc12	9381748	YCMZTWILIHWIAF-AWEZNQCLSA-N	460.581	3.482	50	40	JGGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	19859281	NLQOPLXJALVILK-SFHVURJKSA-N	461.349	3.014	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1	19948508	JBJKTYWTYRLHAK-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409155078	LMKVBEJDHFWUQT-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCC(=O)OC	409239013	YKBHGCVMYKANDQ-KSEXSDGBSA-N	467.291	3.232	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1O	1193077	HWVIPRCQFBZHIG-GIJQJNRQSA-N	455.208	3.068	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1Br	1266445	ZELGRMMRYOIXBG-KUHUBIRLSA-N	472.339	3.325	50	40	JGGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2)CC1	4064078	XMWUIXGGQXJALY-MTDXEUNCSA-N	472.545	3.480	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)C(O)(c1ccccc1)c1ccccc1	9908262	FQNGGPJEEFPMGV-YDZHTSKRSA-N	470.279	3.449	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1	408778523	VTDVBRRFLIZTSW-OEAKJJBVSA-N	466.991	3.111	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	409273125	VPTHCNALLANPBH-WPWMEQJKSA-N	472.501	3.358	50	40	JGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1	1437180	JGZQTWKCIBMNTO-OAQYLSRUSA-N	467.522	3.367	50	40	JGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	2249207	YJPZKETYVIKJON-FQEVSTJZSA-N	493.317	3.309	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1	2775788	WQLXBQQSBCDLPH-BUVRLJJBSA-N	467.503	3.185	50	40	JGGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)c1	12276025	LLIATVXWSXRXTK-FYSMJZIKSA-N	468.531	3.364	50	40	JGGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCOCC3)c(Oc3ccc(Br)cc3)nc12	13759414	AKWRXESEVRUCPG-DTQAZKPQSA-N	495.333	3.324	50	40	JGGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1	14894407	JXHBKSAOERWCQF-PEYGBLKVSA-N	485.625	3.357	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	19954486	VOXYTJPWAHBDFH-PCLIKHOPSA-N	465.531	3.131	50	40	JGGB	
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	26633342	KPLMFHRQOBBZAZ-SPYBWZPUSA-N	476.371	3.209	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	100234818	TXNAQDMOSHXNBA-XIEYBQDHSA-N	467.547	3.445	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2	102263474	CHPBYIBPNTXJOC-QQRKTFAASA-N	455.338	3.231	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1OCc1ccccc1Cl	408614697	GNOJXVKWJWCHCE-VULFUBBASA-N	461.946	3.309	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccc(F)cc1	408614944	KCDRUTOMMJVBIO-JFLMPSFJSA-N	459.518	3.185	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1)c1ccccc1	408823880	FSJZSQICHBMUAV-VXIMLZEYSA-N	464.566	3.232	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c1	408869061	QNPKITPMPQCLMB-AFUMVMLFSA-N	472.542	3.158	50	40	JGGB	
N[P@@](=O)(OCc1ccc([N+](=O)[O-])s1)N(CCBr)CCBr	1487981	LZKGFJPERKWSAN-LJQANCHMSA-N	451.077	3.332	50	40	JGGB	
COc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)c1	9498921	HHJVGGXIXPSQHM-WYMPLXKRSA-N	498.956	3.341	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1Cl	20493200	KHEGACCZBOVJIQ-MFKUBSTISA-N	485.949	3.476	50	40	JGGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	28215114	XBZOLQDANMEOHS-UQQFOZFESA-N	488.569	3.089	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2)c(OC)c1	408975819	NXPGQYNTUDMIGW-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)c1	409061751	HHMAQARQCXUFLA-JFLMPSFJSA-N	481.472	3.184	50	40	JGGB	
O=C(CCCC(=O)NNC(=S)Nc1ccccc1Cl)NNC(=S)Nc1ccccc1Cl	4962930	JXVYQVXIBFKVCE-UHFFFAOYSA-N	499.449	3.499	50	40	JGGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1F	9332449	IRNZSSADYWOWKJ-PMACEKPBSA-N	471.485	3.465	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	19950341	DVABGBDHPFWNIA-MFKUBSTISA-N	469.494	3.097	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O	20212009	RECPXIQIDPFVGW-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1OCc1ccccc1	33787343	STYYPXPQAMOTEM-ITYLOYPMSA-N	465.575	3.220	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1	408606065	LHTNSEWCALGXGL-RWPZCVJISA-N	475.501	3.160	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc2ccc(OC)cc2nc1Cl)S(C)(=O)=O	408874029	XTCLQFOWSMJXRU-ZMOGYAJESA-N	474.970	3.376	50	40	JGGB	
C[C@@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O	408922765	SBHMBMGTWFULPN-WLXKGNRNSA-N	465.531	3.211	50	40	JGGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)cc1OC	409056662	HSEKBIHNZFEWJM-NVJOKUIPSA-N	485.422	3.213	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc2Cl)cc1	409247970	FIDVKUXHCBSFOA-VSRRSJTHSA-N	458.946	3.285	50	40	JGGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N[C@@H]1CCS(=O)(=O)C1	9223183	ABSBSHIPKPFBIW-JKALPCAWSA-N	472.526	3.496	50	40	JGGB	
COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	19956063	SHCMZWFLKRHXQA-UHFFFAOYSA-N	460.512	3.153	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1OCc1ccccc1	20207479	UQQKVLGGILYAPC-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)cc2)cc1	58873630	KRFCPGSISGQOJK-BWJYWGHISA-N	458.518	3.340	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(I)cc1	408785185	ZJDXHYGCOOSRBK-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1	9630560	FSGAWPSBAYGFQB-UHFFFAOYSA-N	491.997	3.389	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OCC	20209666	XAALUTMRMHPQLY-LPYMAVHISA-N	453.948	3.054	50	40	JGGB	
COc1cc2c(cc1/C=N\NC(=O)c1cc(Br)cc(Br)c1O)OCO2	409101872	WZRGFTKUSPTKDU-SWNXQHNESA-N	472.089	3.418	50	40	JGGB	
Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)COc1cccc(Br)c1	8427614	QCRZPPPEADJZJD-UHFFFAOYSA-N	467.117	3.371	50	40	JGGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	9305745	UWVIAMNZDWOFBT-OPEKNORGSA-N	470.869	3.462	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1	20060565	UZNXSPXTSTWJST-PCLIKHOPSA-N	465.531	3.266	50	40	JGGB	
CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccc(N(C)C)cc2)c2cc(Br)ccc21	20266775	NUMLDQSECACVOB-GFMRDNFCSA-N	472.387	3.295	50	40	JGGB	
CN(CC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1	33758036	SPWUQQQWERPVTQ-UUYOSTAYSA-N	460.899	3.172	50	40	JGGB	
CN1CCN(C(=O)[C@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)CC1	100868633	GRVPVNGAKKAGRU-ONERCXAPSA-N	487.074	3.446	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC	111499913	GCAODOYXTGLWPR-OGLMXYFKSA-N	461.518	3.092	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1	408779630	ZQYLTEVYNLUIBC-WGOQTCKBSA-N	495.557	3.438	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccccc1	409259193	XCTBELHQQFGOOU-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
Cc1cc(OCC(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1Cl	12692969	MREQNPUTROZWOG-INIZCTEOSA-N	464.349	3.380	50	40	JGGB	
CC[C@@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O	36622893	IHQZJXJEGVAXKB-IXJMWADBSA-N	498.277	3.254	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	58881628	HESAYJIYHJIPCT-WGOQTCKBSA-N	460.490	3.192	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408771631	HSGUXOGPIBZFBM-PCLIKHOPSA-N	474.583	3.387	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)N1CCOCC1	409009121	BNYMBPTZTNXCSF-MBTHVWNTSA-N	493.482	3.035	50	40	JGGB	
COc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1OC	2655253	KPSGOPWUDDHGGG-QNGOZBTKSA-N	457.486	3.475	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C/c1ccccc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1	9065124	JVUIUUSXYKVIGM-ODDBZWQPSA-N	459.893	3.198	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OC	10038240	BMBAWAPCXXEBHK-AWQFTUOYSA-N	468.247	3.191	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1	11207072	YJCMAOMQANPRMY-UHFFFAOYSA-N	454.552	3.005	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(CN2C(=O)c3ccccc3C2=O)c1	17157268	HYRVCMNTYIJOFC-UHFFFAOYSA-N	457.530	3.460	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OCC	20212193	QZCHNLOCIAFRHB-BUVRLJJBSA-N	477.583	3.107	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	60028448	PKGOMDVOMPDFSP-GPUXLSGUSA-N	473.489	3.288	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2O)cc1	408817742	WYQRGOHZWAWBCC-AUWJEWJLSA-N	464.259	3.237	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	409025314	SZIDNBOOEKAQEU-ZMOGYAJESA-N	487.513	3.058	50	40	JGGB	
Cc1sc2ncn(CC(=O)N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)c2c1C	1784098	IMCVETIVBUUOML-SLMZUGIISA-N	471.542	3.142	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccc(C)cc1	2078348	URJCSJXMVIXOFD-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)cc(I)c1O	3101562	NCLXMHJRIMHYEN-AWQFTUOYSA-N	454.264	3.151	50	40	JGGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1C	39567183	YWADWRZIJDBRMI-XDHOZWIPSA-N	461.526	3.221	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)O	59249174	GGABNZNNBUWCLK-SSDVNMTOSA-N	459.480	3.038	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1C#N	59427762	HAYZLVVSMKLQRL-OPEKNORGSA-N	479.449	3.114	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408779904	NFXFIEXFKUEYEA-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1cccc(C(=O)O)c1	408858384	YSNLCJAGFJHYNE-MXAYSNPKSA-N	479.445	3.410	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1	409252553	CHZREZSPCVIWHI-LQKURTRISA-N	490.491	3.497	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409258574	VLSGWCWANWILJF-NLOAGFHQSA-N	488.972	3.429	50	40	JGGB	
CN1/C(=C\C=N\NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)(C)c2ccccc21	8824672	HATCLHVWQBGEJT-ZVYJFFFOSA-N	496.633	3.054	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	8993761	ZLBQEZQOAASXPZ-STBIYBPSSA-N	491.544	3.100	50	40	JGGB	
CN(CC(=O)N/N=C\c1ccc(Br)cc1)S(=O)(=O)c1ccc2ccccc2c1	35351659	PBYJGJNZIHZZRN-XKZIYDEJSA-N	460.353	3.373	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCC#N	408746209	CGEPBXJKDDQBTH-SXGWCWSVSA-N	473.270	3.426	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409164036	BMZGZDBRXXLIGU-UVHMKAGCSA-N	464.444	3.089	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c1	409169501	QFKGYCOXILZUPN-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409260956	ZASQTVXJBUNAIH-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1	674072	SAUCLAXVUHLNSU-UHFFFAOYSA-N	485.132	3.010	50	40	JGGB	
CCOC(=O)c1c(C)nc(CO)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	9494004	WSXBLQUQNXWYBM-DHRITJCHSA-N	462.462	3.398	50	40	JGGB	
CCc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1	9885463	WNKFWLFWFJFEJR-UHFFFAOYSA-N	471.966	3.456	50	40	JGGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)c1C	15014050	VTZWEWMWUQSYQW-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
O=C(N/N=C/[C@H]1CC=CCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	20478758	GOQQNWLNOGSFPA-HBBMIWKISA-N	454.390	3.308	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)NCc1ccco1	58882017	VIEBRHGZWRURBI-RWPZCVJISA-N	470.485	3.217	50	40	JGGB	
N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1	59332847	JVCCGNDAJNFRJP-GDNBJRDFSA-N	457.284	3.319	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1	409248916	FYZYYBIUGHBHAJ-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1OC	409365664	RHUUQBFMDWEGIO-NHDPSOOVSA-N	484.290	3.018	50	40	JGGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1	705578	LRBWXUCOFRVPHT-WGOQTCKBSA-N	473.541	3.290	50	40	JGGB	
CSc1nn(-c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(F)cc3)cc2)c(=S)s1	3335880	GJWJXHTUMIZUHG-UHFFFAOYSA-N	478.552	3.142	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1	16309281	LITFJPHPWCAWSG-XYGWBWBKSA-N	451.548	3.345	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059837	KFUIIHXVCXHFRR-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(F)c2)Cc2ccccc2)cc1C	33592260	ATCXZHKFNPQYNV-YSMPRRRNSA-N	469.538	3.484	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1	58915488	ALGBEDSULJBQNI-MFKUBSTISA-N	468.579	3.327	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	245239269	HAHWMQFIDWVHBU-KHPFJUMUSA-N	453.580	3.055	50	40	JGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408792247	AANBAFUBIBGSQU-NTUHNPAUSA-N	460.240	3.455	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409219603	SABGAXDIGPVYMX-UHFFFAOYSA-N	467.865	3.404	50	40	JGGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	9243005	ZCMPLPWVTMZMKW-JOCHJYFZSA-N	489.528	3.458	50	40	JGGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	13778205	IMQLOGUHDDCWDW-KJCUYJGMSA-N	460.490	3.006	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	16039189	CXFRDMWUCFEAGE-CWBXHPNXSA-N	468.469	3.230	50	40	JGGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NNC(=O)Cc1ccc(F)cc1	16203736	YYSZIJXIILUXMH-UHFFFAOYSA-N	462.403	3.220	50	40	JGGB	
COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1	408729946	FIWVDYOUCSOQHN-UFFVCSGVSA-N	474.886	3.053	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409156456	FWPQIFCTQMXPCX-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1Cl	409166512	DXDZUEGOKBOBEY-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1OC(C)=O	704699	HMQHJAAHSSXPRR-ODCIPOBUSA-N	456.238	3.365	50	40	JGGB	
COc1ccc(O)c(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])c1	1089244	UUMQDYKAZNILCE-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
CCOc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc(OCC)c1OCC	13072558	NCSBUJASFHGHBJ-GOSISDBHSA-N	499.564	3.014	50	40	JGGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1	19952460	HLVWTSIPADXGSU-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	20209802	QQCGODWVLRXOSH-FYJGNVAPSA-N	468.373	3.154	50	40	JGGB	
Cc1ccccc1CN(c1ccc(C(=O)NN=C2C(=O)Nc3ccccc32)cc1)S(C)(=O)=O	409147116	UWWCPHZQBAXYPM-UHFFFAOYSA-N	462.531	3.047	50	40	JGGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O	2331060	PUUWRIOMFDHTKR-IERUQDSDSA-N	486.116	3.216	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	16678475	YXNQJYYVZOQTLC-HYARGMPZSA-N	481.416	3.212	50	40	JGGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1cc(C)sc1C	25783874	GZOKRBFSULSMHP-QFEZKATASA-N	491.581	3.018	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)cc1	408775413	PXCLUNKZOKAXSC-YSMPRRRNSA-N	490.541	3.309	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408781009	PSIOXBFZIRBXKX-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1	408922965	DCVSGUVMLIIARM-ZDSQJECRSA-N	460.600	3.236	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409168477	LMFIYRVGORJHSQ-KBKYJPHKSA-N	495.363	3.242	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)cc(I)c2O)n1	409230295	YAXHFYRETOIMIJ-NGYBGAFCSA-N	476.727	3.299	50	40	JGGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(/C=N/NC(=O)CNc3cccc(C)c3)cc2)c1	3145806	ITZZDUYWVQHSAX-CMNXJCJSSA-N	456.550	3.428	50	40	JGGB	
O=C(CCc1ncc(-c2c(F)cccc2F)o1)NNC(=O)c1cncn1-c1ccc(F)cc1	10098921	JKFKPQPEQLDGRD-UHFFFAOYSA-N	455.396	3.338	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(C)ccc3OC)S(C)(=O)=O)c(Cl)nc2c1	20212307	HNCXXWYFGSZMLD-WYMPLXKRSA-N	490.969	3.130	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408612975	XZDDKUGXBOZEDF-XMTZNVEYSA-N	462.344	3.402	50	40	JGGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC	409240807	ICJOJDUOLPGHRR-AUEPDCJTSA-N	480.974	3.330	50	40	JGGB	
CC(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C(N)=O)cc1	989357	DOKGMYXRWUTIJR-ZWULCIMOSA-N	484.625	3.070	50	40	JGGB	
O=C(COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1ccccc1	9633900	HXXGLIBODNCIGI-UHFFFAOYSA-N	487.541	3.031	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1	20211143	ZDLSZPWMUAATHJ-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccccc2N)cc1OC	38196332	XUASCANCBVUTTJ-NHDPSOOVSA-N	453.280	3.435	50	40	JGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1	408749483	PITUIESOSILKKX-DNTJNYDQSA-N	486.116	3.448	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028979	WGPRTOHVHADQSL-BUVRLJJBSA-N	487.534	3.041	50	40	JGGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	1262077	DVYQYKAGPBLKFV-BLVKFPJESA-N	486.322	3.045	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1	20493164	DRFNDFFGWZCUSB-YZSQISJMSA-N	495.557	3.218	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1OC	34737080	DEKPJXZZGIUZTM-SRZZPIQSSA-N	484.290	3.480	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(N(C)C)cc1)Cc1ccccc1	108124126	CAKKWVHMWLNMQO-PKAZHMFMSA-N	494.617	3.411	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408613020	YIUSSAWMQVLUFY-LHSRNITLSA-N	450.322	3.318	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(Br)c2)C(C)C)cc1	408756246	YIIOOKDHAXOAJE-AGKWGAAGSA-N	452.374	3.211	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)c(OC)c1	408837718	MBYNZYJZYZPFRB-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1	408925280	OIRIVIPVKXNNEP-AFUMVMLFSA-N	481.530	3.078	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1	409273668	ZYGORUDXNRCYHU-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cc(Br)c(O)c(Br)c1O	1444797	JOGHKTNPBGNECW-NGYBGAFCSA-N	489.076	3.060	50	40	JGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C)c(C)c1	2135174	PFGAWQZNYRYHTH-UHFFFAOYSA-N	462.344	3.319	50	40	JGGB	
Cc1cccc(NCC(=O)N/N=C/c2ccccc2/C=N/NC(=O)CNc2cccc(C)c2)c1	3145789	GQTUMIHFFYIWOV-CMNXJCJSSA-N	456.550	3.428	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)cc2)cc1	3232912	RPHSXTGQJUHYOJ-FYJGNVAPSA-N	458.452	3.151	50	40	JGGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)C1CCCCC1)c1ccc(F)cc1	12598669	JEMPKYXITNDRKI-QFIPXVFZSA-N	450.514	3.376	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)C(C#N)=C(N)[C@@H]2C(=O)c2ccccc2)cc1	20094982	SIJCYZNRYOOKHD-LOSJGSFVSA-N	486.553	3.378	50	40	JGGB	
CC(C)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1	59444634	CZLUUEWDQLYBQE-UHFFFAOYSA-N	452.374	3.195	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4[C@H]5[C@@H](I)[C@@H]6[C@@H]4C[C@@H]3[C@@H]6[C@H]25)c([N+](=O)[O-])c1	102946458	ONQRMRLNRDSIAF-ZEJMTDRRSA-N	466.235	3.462	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	408969152	IDAPZIVIHOOLLE-LFVJCYFKSA-N	461.971	3.456	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409156493	OLXXJVUIGJNIRP-KIBLKLHPSA-N	495.363	3.303	50	40	JGGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	2442035	IUOXBTRVBDCHII-FCQUAONHSA-N	465.469	3.379	50	40	JGGB	
O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	8451695	KVISTWXBBBJLBB-RHLNUJDMSA-N	470.776	3.406	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)cc1OC	13127398	ROLOSPCDFLOEQU-XLNRJJMWSA-N	472.545	3.354	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	20215640	YOHLYOKWVJROIN-BFNWXZRRSA-N	450.587	3.370	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1C	33786695	VIBMHMUZJKDIIY-MYYYXRDXSA-N	496.545	3.253	50	40	JGGB	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	70701470	MTOTXNDDEBPXOP-AXVFWMLKSA-N	497.585	3.133	50	40	JGGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)o1	408724307	AOYRNAKALFZCHO-OMCISZLKSA-N	496.042	3.267	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1	408783870	RWBIFWLSOWDXOF-XIEYBQDHSA-N	467.547	3.445	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1	408981743	WOPVGMKZNBUBIN-JAMLUQCHSA-N	465.531	3.284	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1cccc(Cl)c1Cl	409249256	GZJUVCVZPIYYSK-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	1262079	DVYQYKAGPBLKFV-BUXKBTBVSA-N	486.322	3.045	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)CCC(=O)c3cccs3)cc2)cc1	3304212	PFRJGAXJDKCQJV-UHFFFAOYSA-N	499.614	3.301	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	15018720	JXFPSZGRWISBEC-FSJBWODESA-N	466.763	3.464	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccc(F)cc1	15945992	PRJBMUWRQYWCDK-LGJNPRDNSA-N	452.417	3.071	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(C)cc1	20059168	PWMFXANWDUFNLF-MFKUBSTISA-N	452.536	3.053	50	40	JGGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	28214576	NPKGFWRMRZABQA-AHUNYADESA-N	455.580	3.133	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	253488146	YBWBKNWQBNGMGI-IVAOSVALSA-N	474.860	3.267	50	40	JGGB	
C=C1CC(C(=O)N/N=C/c2cc(I)c(OC)c(I)c2)C1	408734259	VWNCKTPZHRTXAA-REZTVBANSA-N	496.086	3.321	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cc(Cl)cc(Cl)c1	408866378	HYYWLELQRAGTJI-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	408907811	SNAHLPGXBSDZRC-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1	408921391	HBBPSNLUFMVLCE-LSPPGFKNSA-N	461.584	3.425	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)NCc1ccccc1	409168123	KINZGIHCRMHXPL-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1	409259256	YGFKBDNKOFIWJB-KWJLSGNOSA-N	458.946	3.339	50	40	JGGB	
O=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cccs1	2649936	ZHCTYUJYKGJEIW-YDZHTSKRSA-N	453.505	3.363	50	40	JGGB	
COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1	8453616	SENBJBGEXLRNPF-RGEXLXHISA-N	462.333	3.219	50	40	JGGB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1	8819126	APFNSGVGJIKSMF-PDGQHHTCSA-N	455.561	3.056	50	40	JGGB	
Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NNC(=O)COc1ccc(Cl)cc1	9011808	YZDRGUFPJGUTBT-UHFFFAOYSA-N	452.858	3.163	50	40	JGGB	
Cc1ccc(S[C@H](C)C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1	12746225	FODHCUQAAXOCAM-GOSISDBHSA-N	483.615	3.415	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	19951525	RSDJCFMAMFFBOZ-YZSQISJMSA-N	496.589	3.115	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	59536175	SAHAGUNBAUZBFH-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1	408778321	DKBRWZKIVXTZLR-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)cc1	409259571	AUGQBHWSKXFDAI-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	2096592	BZZIVMNBYLVWJZ-ZVHZXABRSA-N	459.491	3.480	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3c(Cl)cccc3Cl)nnn2-c2nonc2N)cc1	2264160	DMYSTCMAOCIWEI-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
CN(NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl	8651796	DVEWTAYXRIPZNQ-LFIBNONCSA-N	458.305	3.428	50	40	JGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)ccc21	9662251	KUSCUGUVTOTVNJ-UHFFFAOYSA-N	450.499	3.338	50	40	JGGB	
O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1	9988941	QLPCQRZFSCPQHP-UHFFFAOYSA-N	467.525	3.392	50	40	JGGB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	12642148	DRGOLUMHXMNQJL-QKPQDPNESA-N	482.493	3.256	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2)cc1	15229966	XYTQNBGYAUJZCI-BYEYKRMRSA-N	476.558	3.457	50	40	JGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C3/C(=O)Nc4ccccc43)cc2)S(C)(=O)=O)cc1	16292249	IJLUKMPVRHMHRO-UHFFFAOYSA-N	462.531	3.047	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1	16401845	PRQDWZPPXDNRJD-YGFNIOOWSA-N	475.998	3.398	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	16692804	YFKNHZATNNSSLS-ZXVVBBHZSA-N	495.601	3.478	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc2ccccc2nc1Cl)c1ccc(Cl)cc1	19937071	MXGLXWNYCQINNO-SSDVNMTOSA-N	451.335	3.458	50	40	JGGB	
C/C(=N\NC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O)OCO2	20159473	MTHMHUYDVHLNOM-QYMMWASNSA-N	455.492	3.236	50	40	JGGB	
O=C(NNC(=O)c1nc(S(=O)(=O)Cc2ccccc2Cl)ncc1Cl)c1ccc(Cl)cc1	27993306	LKNSYTNSNSIWEP-UHFFFAOYSA-N	499.763	3.486	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1)c1ccccc1	33929323	FDHNEKOLEYORSG-ZDKKOKEMSA-N	472.545	3.099	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408609965	MGILZGFVMBJINZ-FVWOBLMASA-N	450.322	3.318	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1	408666113	NXBZMMKAJYUHDA-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408676687	BDQFFXGNVNUXNU-VWQYPGANSA-N	476.348	3.029	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(Oc3nc(Cl)ncc3F)c2)c1C#N	409063161	HVLFWYKJPSEMCJ-OXUBWTJQSA-N	484.875	3.312	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)NCc1ccccc1	409159556	NNZLVGZJJHHKSP-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)cc1	2378014	KLPNDRJPAXSULE-OBGWFSINSA-N	462.506	3.334	50	40	JGGB	
CCc1nc2ccccc2c(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1C	3340951	RUYPOGRMSJVNGX-UHFFFAOYSA-N	470.323	3.486	50	40	JGGB	
CC(C)(C)OC(=O)N[C@H](CC1=CN[C@@H]2C=CC=C[C@@H]12)C(=O)N/N=C/c1coc2ccccc2c1=O	9290943	ORARIHUMNRZCOK-NBXORTQFSA-N	476.533	3.124	50	40	JGGB	
Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1	9381871	QGBRHVAHJOYVEL-HOTGVXAUSA-N	474.608	3.468	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1	20060149	KRZHMUBJPQMDSL-WGOQTCKBSA-N	495.557	3.438	50	40	JGGB	
N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	23224679	OWQQBDQLJKYDHI-TXPKVOOTSA-N	485.484	3.278	50	40	JGGB	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	36396823	CFWORVCWATWZPQ-UHFFFAOYSA-N	451.548	3.059	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	409024677	NBLSOBJONDNUIS-BUVRLJJBSA-N	482.518	3.090	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1O	409028009	YABPNKYYLQPWRQ-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)Cc2ccccc2)cc1OC	9845940	RYGQOFJDPRDGGW-UHFFFAOYSA-N	459.568	3.331	50	40	JGGB	
CC(C)(C)OC(=O)N/N=C/c1cc(I)cc(I)c1O	9851558	JLAMBUSPKOXASZ-GIDUJCDVSA-N	488.063	3.460	50	40	JGGB	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1	22689707	FOBMZDANNSTVBJ-JOCHJYFZSA-N	463.559	3.326	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1Cl	408646867	QOZKQKMWACAYFC-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1	409012563	IVXVVDGQRKJVGB-ODDBZWQPSA-N	453.539	3.150	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1	409155336	QUJJPQOZZPNSJF-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2Cl)o1	409160717	YZPIOZQCAVKZCH-OPEKNORGSA-N	470.869	3.462	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1OC	409316160	LOEPDECEJMCHJV-JJFYIABZSA-N	463.284	3.250	50	40	JGGB	
Cc1c(O)c(Br)c(C)c(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1O	3115477	WSWQLZFQPMUUIS-QPJQQBGISA-N	454.708	3.011	50	40	JGGB	
C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	3628410	YDCWKCCKSXFILB-LJQANCHMSA-N	455.264	3.417	50	40	JGGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1	8764030	ATECAQLTGSSQKA-XMHGGMMESA-N	469.588	3.397	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812388	GHDCENMDKBIKTQ-SRZZPIQSSA-N	452.223	3.215	50	40	JGGB	
CCCCOc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	12907618	VBTWLJIRDVZSNM-ZRDIBKRKSA-N	485.493	3.190	50	40	JGGB	
CNC(=O)/C(C#N)=C1/S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1	13660877	NNLZUFZWKIDOBD-QFGIDJEJSA-N	485.363	3.407	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O	20059856	IODMARHAADYPQP-BUVRLJJBSA-N	498.517	3.045	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OCC	20208684	VKQAGGCAUHKMFR-BUVRLJJBSA-N	459.568	3.183	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl	20213077	OWFXNYHQJYHNNS-AWQFTUOYSA-N	459.311	3.126	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1	58873628	KRFCPGSISGQOJK-FQNOVECQSA-N	458.518	3.340	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1	408908991	ZRULLHDAOLSLGL-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1	409040056	XNXDNWPQPNJSRK-LFIBNONCSA-N	473.485	3.347	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cccc1C	409259119	WQNLPLOZTMMQOZ-CCVNUDIWSA-N	492.532	3.079	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1Cl	409265427	IGQNAEDYIJKGAV-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
CCn1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(=O)c2cc(F)c(N3CCCC3)cc21	1309050	HMHBTFRWEFWRAL-DHRITJCHSA-N	451.458	3.433	50	40	JGGB	
O=C(NNc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1	19630248	ABKCTPMHAAARBF-GFCCVEGCSA-N	453.351	3.298	50	40	JGGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I	33855291	YMUCRJRLENWLKY-ODLFYWEKSA-N	453.236	3.291	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1	409158841	ZDZCFIFWATXUAQ-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409251722	QIRKKNJPGWIYCH-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409267528	NEJHAHGFJCYVIC-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2cccc(C)c2)nnc1-c1cc(C(F)(F)F)nn1C	2784423	JEUVHCGPSPBXNG-AUEPDCJTSA-N	451.478	3.268	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1	6146869	HJTTWJDFGCDJSS-XQNSMLJCSA-N	470.576	3.149	50	40	JGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(O)c(I)c1	9289345	MPVHXFCWDZBECW-GIJQJNRQSA-N	459.081	3.452	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccccc1O	9289820	SMGWDLZFOAICTK-NUGSKGIGSA-N	473.280	3.066	50	40	JGGB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4cc5c(cc4s3)OCO5)cc2)C1	9381953	VZKHVRSAURYGLX-ZDUSSCGKSA-N	474.564	3.203	50	40	JGGB	
C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	9588449	AKJXKLYTKRYRBV-QGOAFFKASA-N	461.396	3.205	50	40	JGGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2)c1	12250478	KCKJBXHIHOGJIX-INIZCTEOSA-N	483.546	3.432	50	40	JGGB	
Cc1cccc(NCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)c1	18107536	JNMJLCMMDNWTDK-UHFFFAOYSA-N	466.133	3.405	50	40	JGGB	
C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccccc1	20160022	HLCPBJPKKBMEEW-VLWSZNHBSA-N	498.381	3.110	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1	27205541	DTOHHGWRKWKQDX-UHFFFAOYSA-N	490.582	3.139	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCc1ccccc1	408615098	LTARZDKQCJOSIQ-VULFUBBASA-N	461.946	3.309	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(C)(=O)=O	408776974	SSWRGNLTYCLVLN-CIAFOILYSA-N	488.791	3.418	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1	409264754	RUQATNPGEUJFOK-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C=CCc1ccccc1OCC(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O	649793	RITDNVGJOSWOBM-UHFFFAOYSA-N	457.280	3.124	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)C(=O)Nc1cccc2ccccc12	2744636	AYPGRYRTETVECU-UFFVCSGVSA-N	457.240	3.305	50	40	JGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1	8452144	LLMWSYQBGRZLJR-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1Cl	12561207	AUBKZBOZKIREHF-LPYMAVHISA-N	456.351	3.168	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1	20211058	OOQNWXQLINDPCN-NUGSKGIGSA-N	451.829	3.414	50	40	JGGB	
CC(C)(C)OC(=O)N[C@@H](CCSSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)O	36412893	JXQOESIPFURHKL-RYUDHWBXSA-N	468.594	3.104	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1C	39986715	YJFMHECZTPZTJB-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	100502872	IRHNDGPJIMIXFN-XAYXJRQQSA-N	491.345	3.246	50	40	JGGB	
Cn1c(CC(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc2ccccc21	104755781	KPYAABJWXURPAJ-MFKUBSTISA-N	457.446	3.394	50	40	JGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)c1	408895790	VTSFMFOSKCKCOY-ZMOGYAJESA-N	473.986	3.367	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)Cc2ccccc2)cc1	408979310	MJZPIAKWFFWGGY-ZVHZXABRSA-N	484.603	3.356	50	40	JGGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409063294	KDQFLIXLWILSMQ-MYYYXRDXSA-N	462.462	3.314	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1	409155361	IMUOPWOJOMBDFR-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1cccc(Cl)c1Cl	409261925	FYXAQLQHEFLSNG-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc(Cl)cc1	2621529	HPFUFJBLAGHLJR-UHFFFAOYSA-N	469.950	3.162	50	40	JGGB	
CCn1ncc(Br)c1/C=N/NC(=O)Cn1nc(C(F)F)c(Br)c1C	2781918	LSUYQQFRSUAEFL-BLLMUTORSA-N	468.100	3.021	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1OC	9439314	JCMVEPIHLLRDMX-UHFFFAOYSA-N	457.708	3.350	50	40	JGGB	
Cc1cc2c(cc1C)N/C(=C\C(=O)N/N=C/c1cc3c(cc1Br)OCO3)C(=O)N2	16284151	LWCNYUHXHGQNJQ-NPYMPXJBSA-N	457.284	3.193	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1OCc1c(C)noc1C	24122397	BJIPENJIRUIORI-UHFFFAOYSA-N	463.288	3.044	50	40	JGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1	28213687	PCINWIGUXUXUJB-NJTCQAJUSA-N	469.607	3.361	50	40	JGGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)NCCc4ccccc4)cc3)n2c1	58872896	OJMYBSLGDZSJOF-MUFRIFMGSA-N	469.545	3.453	50	40	JGGB	
C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	101915698	DWFABGMGTSVDRG-VXMRZWAJSA-N	498.215	3.030	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1	408609211	JRTZHKTYZSKOLK-KXQYEYADSA-N	459.930	3.063	50	40	JGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I	408747944	VYZQHZDVFAEQCI-SXGWCWSVSA-N	476.270	3.066	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1	408776997	ULDVQCLZQAUEKA-CVKSISIWSA-N	463.490	3.250	50	40	JGGB	
C/C(=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c1cccc(C#N)c1)c1cccc(C#N)c1	8622483	CBLHWPVKEUGHSD-GHDILCHKSA-N	460.563	3.321	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	9631566	MWLMGNGNYBVHPH-UHFFFAOYSA-N	498.561	3.373	50	40	JGGB	
COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1	12895038	OYPLUKXJVBDZLQ-HNNXBMFYSA-N	450.582	3.309	50	40	JGGB	
Nc1ccc(/C(=N\NC(=O)C(=O)N/N=C(/c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1	17314787	GATBLJZDBMWHLG-WVMMTVHUSA-N	476.540	3.288	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	19954944	LZVOEIJNSCMZAM-YZSQISJMSA-N	495.557	3.221	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	20493142	KIHKBSVTRAFUHN-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)cc2c1	29564106	QHYYMOHCOOUQFE-UHFFFAOYSA-N	454.533	3.413	50	40	JGGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@]3(C=C[C@]4([C@H]5C(=O)OC(=O)[C@@H]53)[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@@H]3O[C@@]324)C1	118936227	IGFBSNDEYYBSQG-DFCPZDQYSA-N	468.546	3.143	50	40	JGGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1cccc([N+](=O)[O-])c1O	409068468	ROCCGUFQKCXYOH-WSVATBPTSA-N	473.077	3.355	50	40	JGGB	
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1	8830185	DELJEAXSANCQRF-OPAMFIHVSA-N	492.532	3.146	50	40	JGGB	
COc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc(OC)c1OCc1ccccc1	12507096	SDSLBSIIQOOFBR-UHFFFAOYSA-N	474.517	3.173	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	20213542	YNPLCDCXDCXEAK-KOEQRZSOSA-N	452.536	3.216	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1O	409114029	KEXWUYCPXGCPJX-WGOQTCKBSA-N	481.574	3.441	50	40	JGGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)nnn2-c2nonc2N)cc1	2363359	CKHRYPNHJNZTEQ-NUGSKGIGSA-N	457.281	3.279	50	40	JGGB	
Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NNS(=O)(=O)c2ccccc2)c2ccccc2n1C	9096588	MGHMBLPFGCNJFL-VWLOTQADSA-N	488.569	3.042	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc(OC)c1OC	9403008	GAEJKYZZVFNVKP-MFKUBSTISA-N	482.562	3.436	50	40	JGGB	
Cc1cc(Br)cc(Cl)c1OCC(=O)NNC(=O)Cc1nc2ccccc2n1C	9508844	ZYQYZSSKJVTXJB-UHFFFAOYSA-N	465.735	3.067	50	40	JGGB	
COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c21	9846860	NRZAMYVBJBRHSU-AUUYWEPGSA-N	472.339	3.325	50	40	JGGB	
N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	104008048	YBWBKNWQBNGMGI-NCYKPQTJSA-N	474.860	3.267	50	40	JGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc(OC)c2O)c(C#N)c1C	408546695	MYXQTCJUNYUXSY-ACAGNQJTSA-N	455.448	3.446	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)c2ccccc2)cc1	408922503	OQJHPKKSZHJOLG-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1O	16693286	CHCHQUSTGIPCDC-LFVJCYFKSA-N	459.568	3.265	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70697047	RBFGASJFBHLRGG-LYKJMACASA-N	474.554	3.229	50	40	JGGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408775316	GAKYEXVJDKBLGX-LPYMAVHISA-N	476.352	3.213	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1	409161054	VSZJBGKEWVTWAY-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409368483	YAFAJSLRSNFYTN-GZTJUZNOSA-N	450.451	3.150	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)c(C)c1	34798221	CXFRDMWUCFEAGE-ACESQOTJSA-N	468.469	3.230	50	40	JGGB	
Cc1sc2ncn(CC(=O)N/N=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1	36074999	BLCGFIAHSDOLIC-YSURURNPSA-N	463.475	3.198	50	40	JGGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	108923438	KPLMFHRQOBBZAZ-YZVOILCLSA-N	476.371	3.209	50	40	JGGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(OCC(C)C)cc2)c(=O)c1C#N	408600346	BPOGZBDRXPUBAY-MRUKODCESA-N	489.370	3.122	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)ccc1OCc1ccc(Br)cc1	408718505	RXMMVGWTXRRXEQ-FSJBWODESA-N	462.344	3.402	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	408779760	JZDSEHXVOGLWMU-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C/c3cccc(Cl)c3)c2=O)=C(C#N)[C@H]1c1cccc(Cl)c1	408973298	AMDFXUCBIGXPCH-UUVGHFPGSA-N	451.338	3.168	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)N1CCOCC1	409011277	FWXRYTQPBZZLDS-OGLMXYFKSA-N	490.560	3.104	50	40	JGGB	
O=C(COc1ccccc1I)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	409098337	LADVETKESIBZGP-LSCVHKIXSA-N	459.627	3.382	50	40	JGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1	951124	ZAXMNRLKZKGALO-KZFLWGQDSA-N	476.485	3.391	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1OCC(=O)NCc1ccccc1	408609636	KTTSYKPDTGHAFK-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)c(Cl)nc2c1	408912663	QSZDLKZQXRXVNV-WQEJZQBCSA-N	460.943	3.202	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1	409026373	NEXSSLYNSWPHHQ-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c2C)cc1	409109461	FIJUKKOMAVBBJA-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	409211475	NUURVJMBHRFBFS-QFEZKATASA-N	460.446	3.463	50	40	JGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12276142	XCYVKXZQLLBFEZ-BXKMTCNYSA-N	468.531	3.364	50	40	JGGB	
CC(C)N(CCn1c(S[C@H](C)C(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O)C(C)C	12752012	QXFFFZMQAUFBGA-LJQANCHMSA-N	495.649	3.457	50	40	JGGB	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1csc(N2CCOCC2)n1	12802517	PVWDPIUMAVZTHQ-UHFFFAOYSA-N	459.531	3.270	50	40	JGGB	
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NNC(=O)c1c[nH]c2ccccc12	17523043	PYXJORYIMQPJJZ-UHFFFAOYSA-N	482.496	3.438	50	40	JGGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC(C)=O)c(OC)c2)nnc1-c1ccc(C)cc1	30742891	RIEHUYOPPPJKKE-CFRMEGHHSA-N	467.551	3.450	50	40	JGGB	
CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)C(=O)Nc2ccc(/C=C(\C#N)C(=O)OCC)cc2)cc1	33784484	NQLJCBXTFZAWOC-LRVMPXQBSA-N	486.484	3.204	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C)cc2)Cc2ccccc2)c1	35108830	VGQHLIZWENYKCN-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(OC)c2)cc1	59443966	OWRIQBLWTJOLCB-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)c(C)c1	409171150	ZCTHJABTZMFBJD-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
CCOC(=O)C1=C(C)N(c2nonc2NC(C)=O)C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	1083981	XZYGOXAWTVKAFF-INIZCTEOSA-N	477.308	3.470	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc(CC(C)C)cc1	9320826	STBUNVFJRPQHHV-AFUMVMLFSA-N	489.496	3.160	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	58884380	QIYZPIJRNTZHDK-NLTKLDOMSA-N	474.517	3.040	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	253487028	CXFRDMWUCFEAGE-WZYRSQIMSA-N	468.469	3.230	50	40	JGGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)Nc1ccccc1	408655051	COBKUWGETWLHCX-VTLVALNESA-N	487.339	3.452	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F	409157912	WDZHPQOMJKFTKU-KKMKTNMSSA-N	494.470	3.096	50	40	JGGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)Cn1cnc2sc(C)c(C)c2c1=O	1784062	HOTOGJFOWXEYQK-GZIVZEMBSA-N	463.357	3.386	50	40	JGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)ccc21	2617728	ODQICXUPSWHERA-UHFFFAOYSA-N	480.528	3.198	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccccc1Cl	9087880	IZHGTZKEMJTHCB-FSJBWODESA-N	468.930	3.332	50	40	JGGB	
COc1c(O)ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1[N+](=O)[O-]	14922063	UXMZFPDGVQQYHE-WJCXXMICSA-N	466.475	3.292	50	40	JGGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)cc1	17819303	XWFWKTNBMSLVEP-UHFFFAOYSA-N	468.531	3.083	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)ccc1O	19952306	ITAWDXMXCLKSII-BUVRLJJBSA-N	498.517	3.045	50	40	JGGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)NCCc4ccccc4)cc3)c(C)nc2c1	58872771	DCTVWIWYSTXBLI-STBIYBPSSA-N	469.545	3.453	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1C#N	59427731	MTVRZRJCKKELLY-UVHMKAGCSA-N	489.488	3.424	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1Br	408579771	OWANPXFRLMENQM-LLVKDONJSA-N	481.144	3.026	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1Cl	408774859	YJOGSHCDCPMILE-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1	409157006	TXULNNNSSLYVHI-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1	409157637	PYMKOZYZNSSJPQ-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	6906903	PLGDQPZCMXQJAV-HSZRJFAPSA-N	490.472	3.436	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c(OC)c1	9354193	IXTOLRUMWATIRZ-LPYMAVHISA-N	470.511	3.040	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc1CSc1ncccn1	9630471	MRHKXNRBCAEBAN-YNYZQSIGSA-N	450.520	3.458	50	40	JGGB	
COc1ccccc1C(=O)N(NC(=O)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1=O	18219650	CVHIMGSSXYGINM-FQEVSTJZSA-N	477.904	3.468	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	19949903	ZPHVHPJTLZLPSE-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(Cl)cc1	20060528	BFXOJHJRXQRWOB-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC	20760157	KGHMVCUOKCURDJ-ZVBGSRNCSA-N	455.692	3.427	50	40	JGGB	
COc1cc(/C=C/C(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1F	62715633	HMUYHUBOKLOUJZ-VOTSOKGWSA-N	454.321	3.053	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1OCC(=O)Nc1ccccc1C	408613458	ZSFIUTGSFMSQTN-DVQSINOTSA-N	488.544	3.349	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1C	408891885	DRGSYIMOUKOEDU-ZMOGYAJESA-N	473.986	3.367	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(Cl)c1	408938751	ACGQQYZJVPGYGM-NRFANRHFSA-N	486.981	3.225	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OC)c1OC	408969102	HJEQNKNKULGHQN-FOGHPNEFSA-N	471.554	3.081	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1O	409361057	GNNKVUKNVPSCBT-DNTJNYDQSA-N	459.671	3.221	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1F	3327645	RYRJNJIFVUUGDP-BTSCWMHGSA-N	450.422	3.344	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1-c1ccc([N+](=O)[O-])cc1	12376158	QUKYZAJGUJCBRX-UHFFFAOYSA-N	487.480	3.251	50	40	JGGB	
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1	27019530	SMUYUNZZCXWNBD-FCDQGJHFSA-N	483.572	3.459	50	40	JGGB	
CCOc1cc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C	32654865	HWJNZRXBUYRDDT-FUNKKEAFSA-N	486.590	3.290	50	40	JGGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(I)cc1	33926461	PUXBHUDDANZPHE-ATVHPVEESA-N	461.303	3.465	50	40	JGGB	
O=C(COC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)NNC(=O)c1ccccc1	36234448	LIGVGIFVMPXSCZ-UHFFFAOYSA-N	460.515	3.278	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408775614	IOUPCJIUQZHJHY-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1	409015859	OYPUDXURPBSANJ-ORBAKXMTSA-N	459.930	3.187	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3143621	UXOZAAAACNGZAE-ZMOGYAJESA-N	494.416	3.260	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC	20060562	XLAFETSXOZDNTR-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1	33390780	KMLXHMAYCCRLRY-IBBIPMCFSA-N	489.620	3.411	50	40	JGGB	
COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc(OC)c1O	36093661	JJNXJCSIBBWYFZ-PORCUZMESA-N	451.504	3.392	50	40	JGGB	
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	217488577	CFNIGCYRNHVPFF-YEWKZWTMSA-N	497.585	3.133	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408607639	DVAFNWASTHARPN-XMQIJXBMSA-N	450.322	3.318	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCC(=O)OC	408905249	VXPCKJFMNZIKCX-MSXFZWOLSA-N	467.434	3.394	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408921854	CNLUORWLHIZJGU-BUVRLJJBSA-N	467.503	3.185	50	40	JGGB	
CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21	409207276	QXMQANFSZJCAPK-XDHOZWIPSA-N	458.518	3.462	50	40	JGGB	
CCCc1n[nH]c2c1[C@H](c1ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(CCC)c43)cc1)C(C#N)=C(N)O2	8856828	UVTKXANCHDAHKD-WOJBJXKFSA-N	482.548	3.474	50	40	JGGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3cc4cc(C)ccc4nc3O)c(C)c(C#N)c2=O)c1	409061881	JOATXYHVSLPXDF-WKIKZPBSSA-N	452.474	3.047	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	409266341	QUYMQNHCJAXICD-YOGAUDJFSA-N	494.470	3.096	50	40	JGGB	
Cc1ccc(NCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1	1433524	NRXDFTXAEACAOW-UHFFFAOYSA-N	466.133	3.405	50	40	JGGB	
Cc1csc(=O)n1CC(=O)NNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1	9379158	GLYNHQGFZSAFPR-UHFFFAOYSA-N	450.442	3.442	50	40	JGGB	
N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@@]12C(=O)Nc1c(Br)cc(F)cc12)OCO4	13591131	HFJBBWPTDYDUTG-QFIPXVFZSA-N	481.281	3.113	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19947775	YFAMOBROVLWUKE-HAVVHWLPSA-N	452.492	3.331	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	20233464	SOJOKPPAVJQGLW-MFKUBSTISA-N	472.954	3.479	50	40	JGGB	
COc1ccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)c(OC)c1	22577649	CQIBPLBWAYJPGW-UHFFFAOYSA-N	466.567	3.372	50	40	JGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I	408745856	PNZUGTBJJDJPJY-ZROIWOOFSA-N	492.269	3.397	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc(I)c1O	409160662	VOQSDTFWBOUFLO-SRZZPIQSSA-N	481.290	3.047	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc([N+](=O)[O-])cc1	13601535	IYSMPIVPQCGIDX-YDZHTSKRSA-N	463.406	3.284	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1)NC[C@H]1CCCO1	28213756	YXDPUICEXGJWCM-KWCFBIRBSA-N	475.998	3.398	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccco1	59444604	LWWDAINZJFCTLW-LPYMAVHISA-N	476.352	3.383	50	40	JGGB	
CCOc1ccc([C@H](NC23CN4CN(CN(C4)C2)C3)P(=O)(c2ccccc2)c2ccccc2)cc1	98045134	UVMCUXDIWHCRCJ-HHHXNRCGSA-N	488.572	3.246	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1	408768945	MRKFMTWNRWWFKO-DHRITJCHSA-N	469.494	3.208	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c1	408769636	XWTWIVTUBDCPMP-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2)cc1	408925199	NMHQIMZQUXDMTP-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1	409131699	WOCXYWFSTDPVRC-MOPGFXCFSA-N	455.923	3.450	50	40	JGGB	
CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1OC	409359217	AGHVVCVAIZKWQI-UUYOSTAYSA-N	496.301	3.163	50	40	JGGB	
CC(C)c1ccc(-c2nc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cs2)cc1	12763781	YQEAWLOJLLRCMH-UHFFFAOYSA-N	472.592	3.259	50	40	JGGB	
Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1	13057805	OPUTXKSQUJCLTG-UHFFFAOYSA-N	475.505	3.236	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c([N+](=O)[O-])c(OC)c1OC	15759881	JTMONBMJRIFPDK-UHFFFAOYSA-N	463.512	3.416	50	40	JGGB	
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2nc(C)cc(C)n2)ccc1OC	32889335	UJUSFYWDYRQNLX-UHFFFAOYSA-N	469.567	3.070	50	40	JGGB	
C=CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I	108191514	QTCDLNCZIAYPQT-NDENLUEZSA-N	465.247	3.457	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl	408647438	SWXPLHZZXDECAG-UHFFFAOYSA-N	482.320	3.115	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc(OC)c1OCC(=O)O	408848001	XRBCSRPIDSJZLF-FLUFHPMDSA-N	457.490	3.095	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1	408870055	RRNLYKJHFSMWKI-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)cc1	408872328	DDJRHFWHRIGNNS-MWLSYYOVSA-N	497.511	3.085	50	40	JGGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cc(Br)ccc3OC)CC2)c1	409006839	QTVXKESWJBCFQU-ZVHZXABRSA-N	474.355	3.469	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(OC)c3)c2)cc1	409151013	FXLCCLLBBGEJQK-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(F)cc1	409174467	MOGPFADRAIQFHP-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OC	409388926	YCGKHXIQGDMTIT-AUWJEWJLSA-N	451.264	3.404	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(C)=O	3081161	SWHCZALINZQHSF-LQKURTRISA-N	459.502	3.019	50	40	JGGB	
O=C(N/N=C\c1cc(O)c(Br)cc1Br)[C@H]1COc2ccccc2O1	9359541	HSWSAIFQYJYICD-ORUPLYDPSA-N	456.090	3.207	50	40	JGGB	
CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(COc4ccccc4)o3)C2=O)cc1	101748629	JXBOGZWVMLRJGF-NRFANRHFSA-N	463.490	3.214	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCC(=O)OC	108245022	UFVMDEGVRNENHS-JJFYIABZSA-N	494.298	3.001	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cccc(Cl)c1Cl	408906567	HOKPWKSPPOZQFL-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1	408907799	SFIWAPINEKFSHY-CNRHGSOZSA-N	468.373	3.153	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	408963580	GMKXWFAQUYSWHD-LFVJCYFKSA-N	461.971	3.456	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OCC	408989802	MENWVBAFZPSVGG-PXGAOIJESA-N	479.537	3.195	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)c2)cc1	409156099	RLKXMOCFZKOGKY-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OC	409366378	URVMBTYCLNQDKT-UUYOSTAYSA-N	496.301	3.163	50	40	JGGB	
COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	3075040	YRSWILPITCTHMN-ODCIPOBUSA-N	456.238	3.365	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc(OC)c1OC	10060150	JOTATGFCMNLLHA-AFUMVMLFSA-N	450.447	3.401	50	40	JGGB	
N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	23224680	OWQQBDQLJKYDHI-GPMSIDNRSA-N	485.484	3.278	50	40	JGGB	
Cn1ccnc1SCc1c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)oc2ccccc12	58175731	NVZDUMZMGQIXTP-LJQANCHMSA-N	464.503	3.060	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3c(C)nc4sccn34)cc2)cc1	58872918	DWZJECYHKXFLQA-ZMOGYAJESA-N	463.519	3.494	50	40	JGGB	
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	59639293	KODAFRMSMHLKEE-WQEJZQBCSA-N	462.491	3.251	50	40	JGGB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	102648589	ZMCAMQAZBWWFOZ-SYQHCUMBSA-N	459.134	3.290	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1	408849996	CMAIZGPORIOVHK-JXAWBTAJSA-N	492.532	3.067	50	40	JGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OC)cc1OC	408911533	ZUIXPAVZWLIBOQ-YXUUZYBBSA-N	478.343	3.274	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409249152	IPNFZTPDNWIFSH-SVLFYUKMSA-N	464.444	3.088	50	40	JGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	4063898	SVETTWKMSWYLRZ-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)NC1CCCC1	9316821	GWGPKSIWWIJCRO-UHFFFAOYSA-N	473.595	3.288	50	40	JGGB	
CN1CCN(c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])CC1	12416764	CXWUFVVQEOMURJ-QGOAFFKASA-N	454.494	3.050	50	40	JGGB	
O=C(CN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)c1ccc(Cl)cc1	12810784	BBALMJYFKKGUBV-UHFFFAOYSA-N	476.769	3.261	50	40	JGGB	
COc1cc(Br)c(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1OC	14253024	CFQVHRIZUSJPLL-UHFFFAOYSA-N	469.313	3.144	50	40	JGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)Cn1c(S)nnc1-c1cccs1	17396208	VLGGUJJAYLGTRN-UHFFFAOYSA-N	465.988	3.264	50	40	JGGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	25452544	UUFRUEUUCNHRHX-NSHDSACASA-N	464.341	3.112	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1	39986752	OEFCKZWDEGEJCS-QQXSKIMKSA-N	497.573	3.054	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100769985	RBFGASJFBHLRGG-GHZLVZEESA-N	474.554	3.229	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1	408786096	LXNSORQWWKOWOH-ZVHZXABRSA-N	451.504	3.069	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=C/C=C/c1ccccc1	408953187	WZQLIEZDWFLMEQ-IGDKCOMPSA-N	478.574	3.237	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1cccc(F)c1	409121113	WCOXTACQMHZMDK-MFKUBSTISA-N	455.511	3.321	50	40	JGGB	
O=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	2278325	GRTCXQNYBPLIMF-LGJNPRDNSA-N	467.323	3.303	50	40	JGGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OC	9202090	XNPWGRQXEUIVEV-SSDVNMTOSA-N	496.301	3.314	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408921106	DEUCRYGEAYXOIL-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1OC	409016136	URBKNPXGYJZTLW-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1	409155822	DDTNTOCBHTYSGL-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)ccc2OC)S(C)(=O)=O)cc1	2085350	MATLOVKDOOEASN-CYGNYLSHSA-N	498.399	3.161	50	40	JGGB	
Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)c1	2644600	GFJKYDGPOUXAOW-UHFFFAOYSA-N	462.506	3.387	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1cccc(F)c1	3116229	BEELZUBLQFOADS-XODNFHPESA-N	467.428	3.073	50	40	JGGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)[C@@H](C(=O)OC)C(=O)N1	9319280	DPVCFSFCEHWVAQ-NHCUHLMSSA-N	467.522	3.498	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1	58881457	MOUGJEBOLFFVAZ-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1O	108072292	NIOLXRRSMDUMLD-LZYBPNLTSA-N	452.339	3.042	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1	409004741	BRJXOINZRZHJCR-YSMPRRRNSA-N	463.490	3.494	50	40	JGGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1	409219225	OMPOMZBPWLMJMN-VTKRUPEJSA-N	450.363	3.479	50	40	JGGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	409268066	XYTMVEWHOBUZLZ-FDAWAROLSA-N	486.572	3.272	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	409270501	QFHMIACKSPJGMV-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)cc2OC)c1	1435349	UBRLMPVCKSHDJT-XHEHIBSSSA-N	462.458	3.213	50	40	JGGB	
O=C(Cc1cc(=O)oc2cc(O)ccc12)N/N=C/c1ccc(N(CCCl)CCCl)cc1	1724234	RALUPMDCOQIOIS-AFUMVMLFSA-N	462.333	3.475	50	40	JGGB	
O=C(CCc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	2281722	PDULFTDJNKKEOC-JVCXMKTPSA-N	474.948	3.456	50	40	JGGB	
Cc1cc2ccccc2n1CC(=O)NNC(=O)CCCC(=O)NC12CC3CC(CC(C3)C1)C2	9908356	VJTVYCCQUNJRJY-UHFFFAOYSA-N	450.583	3.352	50	40	JGGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2	20232812	NUKHHHTVSDQZBZ-KOEQRZSOSA-N	465.531	3.437	50	40	JGGB	
Cc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1	408666308	YFHDDWFISPZDCH-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408965465	HOSXHDXXORMPGU-YSURURNPSA-N	478.274	3.174	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1	409255387	HPIIFRIPBPHYMO-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
O=C(CNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	3347035	NRYMXCBXQQPERB-FOCLMDBBSA-N	486.553	3.253	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1	15018794	NODKTZJGEHRVNM-ZVHZXABRSA-N	476.371	3.209	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1	20059839	XSPFWMUNCQKLCH-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	20231887	WRHGCENRZHJLTA-LPYMAVHISA-N	488.547	3.319	50	40	JGGB	
Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	408645083	JJCQBFJTEMBUMT-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408819746	STXRQKXZCMIAIB-PXNMLYILSA-N	489.322	3.241	50	40	JGGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4cccc(Cl)c4)o3)c(C)nc2c1	408829588	KECFZVONJRRROQ-WKIKZPBSSA-N	492.923	3.216	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OCC	408874444	BMHAVJJYMQECSV-OEAKJJBVSA-N	467.975	3.444	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(Cl)c1	1529545659	ACGQQYZJVPGYGM-AXDLBROPSA-N	486.981	3.225	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1	886465	IMOUYPOKIRKGIK-UHFFFAOYSA-N	458.547	3.499	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	3143779	YRVSRBGAPMVJBD-OOHCFEELSA-N	491.507	3.403	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1Br	8450488	ANEQKIVEDVHBSR-SRZZPIQSSA-N	487.807	3.085	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3C)C2=O)cc1OC	8819491	GEXBXMGQDDEVJW-ZHZULCJRSA-N	499.614	3.455	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl	8861778	TWHWDWBPIKKVFJ-WSDLNYQXSA-N	476.898	3.425	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)cc1	13381988	XHOSZBLTWKWGQP-WKIKZPBSSA-N	499.487	3.256	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	19948096	XAOMKNYAQNDZQA-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
COc1cc(/C=N\NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O	36234054	GGOMJFKYMQDXTC-XWIKOFCXSA-N	458.518	3.388	50	40	JGGB	
CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	118924464	SUYDMLDXAOBPDP-IZPBDFPDSA-N	483.399	3.014	50	40	JGGB	
O=C(COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1)c1ccccc1	408687521	UNCFYMWWEADKKV-VTLVALNESA-N	498.329	3.236	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1	409002493	NUTDOQIOLJOXHF-KWJZBXMYSA-N	456.480	3.056	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)c(C)c1	409165571	ZQHGINAODOKPOP-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1	409249005	GGGATWRGUKSABD-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(C)c2)Cc2ccccc2)c1	33574125	SNMXFVLGQZRSPB-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	118924461	SUYDMLDXAOBPDP-KGHACUNTSA-N	483.399	3.014	50	40	JGGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O	408646269	IMPZQAAUENCTCH-KRWDZBQOSA-N	461.833	3.121	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1	409153943	NAAPFDIYQMCTPL-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)c1	409166397	DFCXKDRSJQOPKW-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
Nc1ccc(/C(=N\NC(=O)C(=O)N/N=C(\c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1	1686849	GATBLJZDBMWHLG-IEPGDLOPSA-N	476.540	3.288	50	40	JGGB	
COc1nccnc1NS(=O)(=O)c1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1	6088716	FJTLGZVVRDJTOV-WYMLVPIESA-N	451.464	3.079	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	13477391	UDILXOOIDXDVQV-QYWMOJRTSA-N	464.459	3.306	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O	16479046	SLKHRYFGSHCJTJ-PCLIKHOPSA-N	471.966	3.429	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(Br)cc1	16575226	XPEMKVXTOTVMKE-WYMPLXKRSA-N	462.344	3.259	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20209455	VMUPSQQSBJSVGF-OQKWZONESA-N	453.948	3.054	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409251469	QJDGMJSFIOKCCI-NEOOYVHHSA-N	468.554	3.084	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1C	409260923	YNVLKWHBOLNXMT-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCCO4)cc2OC)c1	1435184	RONDNFYSSDPEFK-CVKSISIWSA-N	462.458	3.458	50	40	JGGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nnc2-c2cccnc2)cc1	2710309	TXNGQDKHRYMMGO-LGJNPRDNSA-N	490.545	3.382	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2CC=CCC2)c1CSc1ccc(Cl)cc1	9497256	PMCSTNPPGMYAIE-OWGFIJSYSA-N	458.935	3.250	50	40	JGGB	
CCCOc1c(Cl)cc(C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1OCC	9717544	WGEODEIBPDEWIW-UHFFFAOYSA-N	452.866	3.285	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16186373	HFBGFFVGXKLHMY-KOEQRZSOSA-N	450.564	3.094	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19952402	NRSMXTAVJNZHSS-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1	58881075	UQAXXUMTPVOIOW-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1O	408868631	PMEVISXTHXWMHI-UXHMZNKVSA-N	486.377	3.401	50	40	JGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2C)cc1	409027308	GQQITYMTKRQVTI-ZVHZXABRSA-N	483.550	3.227	50	40	JGGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)c2)cc1	409152447	BCUXTLYQUAEEBH-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(OC)cc1	409255235	GTSZFEJVUAMNOX-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2OC)nnc1-c1ccc(OC)c(OC)c1	1296492	FPXOCYQRNCDHLO-ZMOGYAJESA-N	485.566	3.242	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Cl	2188353	WSEUJRKRDOEWSD-LOHYDARVSA-N	498.391	3.207	50	40	JGGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	3193857	CHMSKCAMKYLYFJ-OXAZHYLESA-N	464.092	3.312	50	40	JGGB	
CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C	4692282	OTWBGXPTCSGQEJ-UHFFFAOYSA-N	450.818	3.191	50	40	JGGB	
O=C(COCC(=O)N/N=C\c1c(O)ccc2ccccc12)N/N=C\c1c(O)ccc2ccccc12	4771172	HUEMOGJDVJPZNI-JEGUCOMDSA-N	470.485	3.021	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(Cl)cc1Cl	9308409	HWTGYEHRBPUVOT-ODCIPOBUSA-N	463.310	3.422	50	40	JGGB	
O=C(NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccc(Cl)cc1	9591383	FTUGJJGBBAKYTD-CRAIPNDOSA-N	481.307	3.396	50	40	JGGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1OC	9980262	MHBBKYYPBBRVQM-FCHUYYIVSA-N	495.557	3.204	50	40	JGGB	
CSCC[C@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	14943560	HQFUHOXYYXAZDG-OJZVVMIASA-N	498.048	3.384	50	40	JGGB	
COC(=O)COc1cc(Br)c([C@@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1OC	16577794	PUEJMBTZDRVLMH-LJQANCHMSA-N	490.354	3.033	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	20059310	BFPFGFSUJTZDNB-KOEQRZSOSA-N	450.564	3.483	50	40	JGGB	
Cc1cc(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)cc2)cc(C)c1Cl	36611130	FNMFIOHUVPLWPB-UHFFFAOYSA-N	491.057	3.367	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1	58873693	BEUCRTVUVCUXCF-NLTKLDOMSA-N	474.517	3.040	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	58914758	HAPHAALFJPGSNJ-QRVIBDJDSA-N	450.407	3.120	50	40	JGGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)NNC(=O)c1ccccc1Cl	408661878	WFYHPQAENRKTHX-NSHDSACASA-N	484.723	3.004	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)c(I)c2)c(OC)c1	408872980	QENBBVKKXMERQF-VGOFMYFVSA-N	464.259	3.237	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2F)cc1	409007507	XASULABMUKKKLJ-AFUMVMLFSA-N	484.509	3.384	50	40	JGGB	
Cc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccccc4C)c(=O)c(C#N)c3C)cc2c1	409056761	IGXBPXZIWIDHNH-WKIKZPBSSA-N	452.474	3.047	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1Br)S(C)(=O)=O	409183151	AMBJDKKMKJDKQT-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1	778230	HARJKPOZUVIJRZ-XMHGGMMESA-N	461.499	3.407	50	40	JGGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)cc1	9730350	XYCIHIDFJRYPJI-UHFFFAOYSA-N	482.558	3.284	50	40	JGGB	
C[C@H](CC(=O)NNC(=O)Cn1ccc2ccccc21)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	9851319	PONDHXUINMACPK-LJQANCHMSA-N	496.011	3.207	50	40	JGGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC	12629554	CEVZORULKHIHGP-ZMOGYAJESA-N	462.890	3.120	50	40	JGGB	
COc1ccc(CC(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c(OC)c1OC	12740211	GUSAHMOCJRHREN-UHFFFAOYSA-N	472.501	3.326	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	13811204	WPWLPVMDKRQMLK-LTKMBJGESA-N	456.907	3.379	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)c1C	20209837	RTXHOAICLJAECP-SRZZPIQSSA-N	452.374	3.291	50	40	JGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	22802792	PJQNRCUCGNSBID-OGLMXYFKSA-N	456.546	3.497	50	40	JGGB	
COCCn1c(C)cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1C	33044117	DGPGVOYAGVBIRQ-HYARGMPZSA-N	460.581	3.378	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1O	409027472	IQMRRGKYXUCXFN-MFKUBSTISA-N	467.547	3.439	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1	892232	ILQJETNOMOPQAX-UHFFFAOYSA-N	475.530	3.202	50	40	JGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)NNC(=O)c1ccccc1F	9587818	PXCKUJPZDBSZDJ-ZHACJKMWSA-N	474.851	3.130	50	40	JGGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1	15225346	XMOXWBZPFKHDRU-DHRITJCHSA-N	460.918	3.215	50	40	JGGB	
O=C(NNC(=O)c1ccccc1Br)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1	17359032	KLXQKKXPCMNFJH-UHFFFAOYSA-N	492.326	3.464	50	40	JGGB	
Cc1c(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	20293752	MEMFQYRSUYFYAV-UHFFFAOYSA-N	495.605	3.116	50	40	JGGB	
COc1c(Br)cc(Br)cc1/C=C/C(=O)NNC(=O)c1ccncc1	32118622	CFRUTFOMVYWBJK-NSCUHMNNSA-N	455.106	3.090	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C	58880871	STNHOHJIUFPJND-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCC(CC)=NNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	59443853	BMGJPMBWSVDQHT-UHFFFAOYSA-N	463.556	3.200	50	40	JGGB	
O=C(N/N=C/c1ccccc1F)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	59922082	NDFSFSZTYKEKLG-LPYMAVHISA-N	468.348	3.139	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)cc(OC)c1O	409002114	MFFLECINYCFLLA-WSSSDRMFSA-N	464.522	3.418	50	40	JGGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409062815	BGPUYAZFMMERNA-GZTJUZNOSA-N	451.483	3.111	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409273251	WPJQAXBDSRCGRY-PASSITCSSA-N	488.972	3.429	50	40	JGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H]2C(=O)OC)cc1	409328076	YRSAZVDCMIPHDB-RTBURBONSA-N	481.486	3.053	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O	2085200	MCXWSEYOCORFBH-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
CC(C)CCn1nc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O	12976246	MRFXBOTUNDKHKO-UHFFFAOYSA-N	464.547	3.219	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1	13644216	CIFCBPXNIVTVMD-MTGKDYNDSA-N	476.558	3.067	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C)cc1	15019890	VRVPOYFJIOJWPA-ZMOGYAJESA-N	476.371	3.127	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1O	19948399	PVFGFULNMRETKL-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C	20213955	XOTOMEYKOSLJMZ-RVDMUPIBSA-N	456.553	3.323	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408772508	MEHVHWBDORVQQJ-WGOQTCKBSA-N	495.557	3.275	50	40	JGGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)ccc21	408891422	QIIDTMJPRHNBNU-UKTHLTGXSA-N	458.259	3.027	50	40	JGGB	
COc1ccccc1/C=N\NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c(C#N)c1C	409055917	LQPJGYLJAMQFJB-PPDIBHTLSA-N	455.396	3.204	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OCC	409324670	UJNYFFRNGXJXHG-ROTLSHHCSA-N	463.918	3.164	50	40	JGGB	
Cc1cc2c(c(=O)n1C)[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	9743059	YXEVSJLTKNZYDK-VWLOTQADSA-N	458.905	3.266	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl	26963840	PREBVVMVRSQGJZ-GTENMVSRSA-N	496.976	3.412	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Cl)c1O	59463373	HCIFXIHQSQBTAV-DNTJNYDQSA-N	459.671	3.221	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1	409262176	FQKYMOVNHZRODP-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1	409263830	CIHWBFUEONVHDV-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O	2331063	PUUWRIOMFDHTKR-UJMBYILYSA-N	486.116	3.216	50	40	JGGB	
CCC(CC)=NNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(I)cc1	8403635	LHFOWXVGVQNYQX-MRXNPFEDSA-N	479.384	3.276	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)c(OC)c1	9065259	IWEFKFOZCPEQFN-KVUWKNAUSA-N	499.527	3.364	50	40	JGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)ccc21	18179516	ITPVYGVRMCTVBK-CALCHBBNSA-N	497.621	3.106	50	40	JGGB	
C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cc2c(cc1NC(=O)/C=C/C(=O)O)OCO2	20158050	WMQNRXDHOREIBC-XSXLHIAQSA-N	467.522	3.441	50	40	JGGB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCBr)[C@H]1c1cccc([N+](=O)[O-])c1	20792808	MCIAPXKGANXQCE-KRWDZBQOSA-N	453.289	3.331	50	40	JGGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	30824156	RMAUMMDNHGYEET-OVNZKNECSA-N	458.430	3.245	50	40	JGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1	58882591	KATDANSPCXRCSE-QRQIAZFYSA-N	461.518	3.205	50	40	JGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1	59499291	ILUVZGUHMVPRRN-HZHRSRAPSA-N	453.476	3.364	50	40	JGGB	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc(Cl)c1	408673860	VVLUJTVUEHSVAK-SLQSZJTJSA-N	490.579	3.056	50	40	JGGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	409011146	DVCSOSYIDFCJPY-TYLRVVQJSA-N	462.890	3.014	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	409048733	SVYXJOXLCFJXCU-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)cc1	409141114	ITXIWPDESLQJHE-WGOQTCKBSA-N	494.573	3.172	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	409152759	JXWLJIHCJOIHLC-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1	409159020	URZPLYBEPJACHJ-BRJLIKDPSA-N	450.451	3.117	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)c2)cc1	409166014	CAZMSVCNTXSZBE-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1C	9603779	CZEKETUSWHORTQ-UOBPLZBXSA-N	452.511	3.187	50	40	JGGB	
Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1Cl	12692963	MREQNPUTROZWOG-MRXNPFEDSA-N	464.349	3.380	50	40	JGGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1	13401092	OERJKQSJKLXEPY-NBVRZTHBSA-N	477.498	3.107	50	40	JGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1C	16043523	CIZCAAMJDNOOSR-UDWIEESQSA-N	486.594	3.163	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1	20059678	UCXYBHBKSGHKHM-HZHRSRAPSA-N	468.491	3.303	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	20232446	MOEMESJXGFXRQR-BUVRLJJBSA-N	482.518	3.334	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	408856330	FSQJFZRIXSJBES-MFKUBSTISA-N	468.579	3.327	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccc(F)cc2)cc1	409075251	XZLOABMZAUJJHZ-AFUMVMLFSA-N	484.509	3.384	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cccc(Cl)c2)cc1	409142635	AOAGZNHWKGXJOF-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1	409163842	YOQKJOUGDJAJII-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)c(C)c1	409260902	YIOCCHUIGJSSIE-RWPZCVJISA-N	482.581	3.011	50	40	JGGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	1424588	KPGCXUGXLJDKIU-QFIPXVFZSA-N	462.307	3.255	50	40	JGGB	
CCOC(=O)c1c(C)nc(CO)c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1-c1ccccc1	9494003	BSCKOTKYEDTEQY-DHRITJCHSA-N	462.462	3.398	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1	12998395	SYLBSHNWUBXLDZ-UHFFFAOYSA-N	457.483	3.096	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	19948056	BOGJBBRDXWRGPQ-KOEQRZSOSA-N	450.564	3.407	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OCC	20213803	YIZLECHIIOXRNO-BUVRLJJBSA-N	461.584	3.407	50	40	JGGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1cc([N+](=O)[O-])ccc1O	109974145	WAOJJDCCIRNLSA-WSVATBPTSA-N	473.077	3.355	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1ccc(OC)cc1	874100	PKGLTSDAOXBVFS-UHFFFAOYSA-N	490.383	3.289	50	40	JGGB	
O=C(NN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccncc1	986320	PELSNEIGCCUAED-IBGZPJMESA-N	463.881	3.246	50	40	JGGB	
CCCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OCC)c2)cc1	9344979	HWAOKRLKYGOHDD-CVKSISIWSA-N	490.524	3.241	50	40	JGGB	
O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	9885247	FIWIGLIAHPXELY-UHFFFAOYSA-N	457.465	3.498	50	40	JGGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1	14894409	JXHBKSAOERWCQF-XMEDORATSA-N	485.625	3.357	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1	16227942	JDDDQJQMCWJIQU-XIEYBQDHSA-N	451.548	3.079	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(O)c2)Cc2ccccc2)cc1C	33858005	UQXSUXQLLOVKNY-MYYYXRDXSA-N	467.547	3.050	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	59427925	CBRHTZZZBRERMX-OVVQPSECSA-N	495.601	3.396	50	40	JGGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	59502246	SBMKNJSNJYBVIM-CNHKJKLMSA-N	473.077	3.355	50	40	JGGB	
COc1c(Br)cc(Br)cc1C(=O)n1cc(C(=O)NN)c2ccccc21	226367303	YFUIPERPNKRAMK-UHFFFAOYSA-N	467.117	3.467	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408609551	KEICSBPQEJMZKJ-XMQIJXBMSA-N	494.773	3.427	50	40	JGGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	408777396	YFXUUQIOCJJYHU-KSEXSDGBSA-N	495.344	3.154	50	40	JGGB	
C[C@H](C(=O)N/N=C/c1ccccc1O)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025978	CKSHNGWSXBDRTF-MXJLDLDKSA-N	453.520	3.489	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1	409184593	HCSAGYVZEKZREM-YZSQISJMSA-N	479.558	3.366	50	40	JGGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nnc2-c2cccnc2)cc1	1479538	OTSVPIWZHHHXHR-VULFUBBASA-N	459.535	3.365	50	40	JGGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3cc(OC)ccc3OC)cc12	2220236	GIJTVAFQGNRIBZ-DHRITJCHSA-N	453.495	3.210	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	19956267	DCIIXHROFGFPLC-CVKSISIWSA-N	483.521	3.266	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccccc2)cc1	33560145	PQWMFROZHKYHRM-WGOQTCKBSA-N	478.574	3.295	50	40	JGGB	
COc1ccc(Br)cc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1	34966909	DREPFJNOMMIYHZ-RUDMXATFSA-N	468.760	3.460	50	40	JGGB	
COc1cccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1	100368023	QNAGIMOPIGYWJC-BYNJWEBRSA-N	476.920	3.146	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccccc2)cc1OC	409120867	WPUJRTDORVDGRN-KOEQRZSOSA-N	483.546	3.145	50	40	JGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(N)=O	409224245	KLGVYRURXAYQEC-RIYZIHGNSA-N	491.285	3.100	50	40	JGGB	
O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1	3423504	XOGZLWMFJITHEW-UHFFFAOYSA-N	452.396	3.423	50	40	JGGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1c2ccccc2Oc2ccccc21	9631606	BNGXTYMOYLXVAB-UHFFFAOYSA-N	456.546	3.284	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19949838	HFLBWGMGHYXIQB-LFVJCYFKSA-N	481.534	3.006	50	40	JGGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(Br)c1	408960911	JIFNWBXWYDEWMJ-ZMOGYAJESA-N	469.339	3.027	50	40	JGGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(O)c(I)c3)oc12	408962707	JMGXRZYAUUTVJC-UFWORHAWSA-N	481.202	3.424	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1[N+](=O)[O-]	409019011	VERRQHSADPTBHG-HUHXJTTESA-N	470.526	3.280	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	409156046	KCXRSINRKXMCOT-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1	409162359	DCPCWLOSPSATSH-UVHMKAGCSA-N	464.444	3.089	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1)Nc1ccc(Cl)cc1	409166173	BWLLEBANKAUSEN-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1	2178216	MQZODRWQEXYNRU-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1	13401032	JHLJRLDIWXQJIZ-SDNWHVSQSA-N	452.448	3.356	50	40	JGGB	
COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1	30734358	PVDHYXFUEBDLFE-XSTCGZMYSA-N	475.476	3.033	50	40	JGGB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccc([N+](=O)[O-])cc1	408537228	ZNDNSCRQFRLYNO-YBEGLDIGSA-N	458.272	3.207	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408612002	TVKBDCQKEOLBRD-HDDDNDSPSA-N	450.322	3.318	50	40	JGGB	
COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	408644353	DXBKJXBSWTWQJA-UHFFFAOYSA-N	491.500	3.211	50	40	JGGB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1Cl	408646446	PFMDTMMFFKPJCV-UHFFFAOYSA-N	466.321	3.415	50	40	JGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC	408747371	MXSCPTAAEFGHRP-CIAFOILYSA-N	464.259	3.084	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1Br	408868226	OJVMPGSAKJYMBN-QGMBQPNBSA-N	493.177	3.029	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1	409164893	PFSVRQNOXKBQFO-MZJWZYIUSA-N	468.554	3.004	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c1	409170132	UFLXXUPJOHIIBZ-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1	409256058	NQXSWWTVYFXJEP-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)c1	4520981	FIZVJKYJLJXBDH-BUVRLJJBSA-N	466.519	3.218	50	40	JGGB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	8452633	OAVAZJGFSQWYGW-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
CCOc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1	9456686	WYFJVTMCPLTODW-ZVHZXABRSA-N	478.538	3.078	50	40	JGGB	
COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc(Br)c1OCc1ccccc1	9583861	SVWQGCRPAUOFQM-UHFFFAOYSA-N	487.354	3.311	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCC1	11386867	PCRJTBOBDYMSTQ-UHFFFAOYSA-N	451.306	3.428	50	40	JGGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccco1	102188577	MKWHZFPIZWRBDA-FEQVJCLUSA-N	496.945	3.203	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc(F)c1)Cc1ccccc1	108211760	KJXILORLQMFVBV-YSMPRRRNSA-N	469.538	3.484	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1	408611039	PPCAJYPPVWOEGQ-HOPNPLPASA-N	480.348	3.326	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1	408644693	HZADGYXRHIYNGB-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1OCC	409313687	PEMKHCDCMHVUIL-JJFYIABZSA-N	465.300	3.474	50	40	JGGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	3113542	RYXOANVKWBXVQX-WYMPLXKRSA-N	470.279	3.141	50	40	JGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)c1	4168160	UVLRPKITLJXCIA-IBGZPJMESA-N	464.478	3.338	50	40	JGGB	
COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1	12275342	ROAWDCQVWQMBLZ-BXKMTCNYSA-N	466.515	3.134	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c2ccccc2)cc1	18191726	YUSCJKXBXYBWGK-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1Br)S(C)(=O)=O	20212797	BOFALOQNJLCYJD-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1	408661169	DRVHHBOOGDYFOH-UHFFFAOYSA-N	459.930	3.188	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C	409110560	WMCGMJBOEZQNNF-BUVRLJJBSA-N	463.531	3.330	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Cl)c1OCC(=O)O	409346374	LDWXZULIKIPHNR-GZIVZEMBSA-N	470.707	3.137	50	40	JGGB	
COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccccc1	930633	QWIXXOYGNCCKMH-UHFFFAOYSA-N	459.531	3.496	50	40	JGGB	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	4897146	SUYDMLDXAOBPDP-OKHGOZGVSA-N	483.399	3.014	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C/C=C/c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	13785046	LOLLBPPCWUFRJZ-FLMHAFDVSA-N	451.486	3.210	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	408780990	PICXUCQMOOMWKB-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(OC)cc3)c(OC)c2)cc1	408921586	AUMVGHKXONQGEY-BUVRLJJBSA-N	470.503	3.244	50	40	JGGB	
O=C(Cc1ccc(Cl)cc1)NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	1501335	CMOGXCDITKDHQE-JVCXMKTPSA-N	474.948	3.109	50	40	JGGB	
O=C(N/N=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1cccc(O)c1	3089111	SDJNVAFVCRANLT-WSDLNYQXSA-N	450.363	3.192	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)Nc3ccc(F)cc3)c2)cc1	3239071	IRVJHRQCQRAOPI-UHFFFAOYSA-N	474.539	3.267	50	40	JGGB	
C#CCOc1c(I)cc(C=C(C#N)C#N)cc1I	9233718	ZRRJWJCNVBHWHI-UHFFFAOYSA-N	460.012	3.338	50	40	JGGB	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1	9434174	JNPCRCODXQBALQ-FQEVSTJZSA-N	457.490	3.434	50	40	JGGB	
O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	9662531	XKDQHSMANPSMEA-UHFFFAOYSA-N	451.829	3.438	50	40	JGGB	
COc1ccc(/C(C)=N\NC(=O)COc2ccc(OC)cc2I)cc1	9948552	XSRZVFHUOVLODM-NDENLUEZSA-N	454.264	3.228	50	40	JGGB	
CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1	9969857	ITEPYBODOLASNS-FQEVSTJZSA-N	464.547	3.216	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccccc2)cc1	59427921	MHWSXTMAWMLWPJ-MFKUBSTISA-N	465.531	3.034	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2OC)cc1	409169601	QESSTYSYRIKIIC-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)c2)cc1	409249135	GQMGHJGLZYVKNB-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1	409266572	PUVLHEUAOIGXFH-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1	409327162	QLQZFSRMHMYHIP-RTBURBONSA-N	479.986	3.126	50	40	JGGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	409409051	MGLOPYDOTHXSRE-RLDZNJRFSA-N	457.442	3.355	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OC)c3)[C@H]2C1	8920624	LJNLRQSBOGBDMY-UGKGYDQZSA-N	461.522	3.364	50	40	JGGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCC)cc1	14654970	FLZHQVHIEJHIMT-UHFFFAOYSA-N	478.343	3.426	50	40	JGGB	
O=C(NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1csc(N2CCOCC2)n1	15545255	NRCSOROBIUVQOV-UHFFFAOYSA-N	478.530	3.380	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1	20059780	PSMIVPUOKUYZJC-AFUMVMLFSA-N	481.530	3.078	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(C)cc2)cc1	20061240	IUOIHEWXAUHYDG-WPWMEQJKSA-N	492.557	3.252	50	40	JGGB	
O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)[C@@H]1COc2ccccc2O1	31879832	ARFZOMVUKOPNFB-FDFSMXBESA-N	456.090	3.207	50	40	JGGB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-]	408527165	CWMMDTDZBKPDHX-GDNBJRDFSA-N	458.272	3.207	50	40	JGGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	408872373	MAVKGDQVOJBRLQ-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)c1	409158948	YOZIIATWSWXJNM-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1ccccc1C(=O)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	3420516	HPNTVMQEKIMYMP-UHFFFAOYSA-N	454.486	3.101	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1	9120122	PGKQUNAHKMPLIP-UHFFFAOYSA-N	480.521	3.041	50	40	JGGB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1	14361286	TWDMZPQSCWPWPN-NEWNVTMNSA-N	451.523	3.390	50	40	JGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OCCN1CCOCC1	19852630	ACAYRBMWXKLMJN-HSZRJFAPSA-N	487.560	3.405	50	40	JGGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC	23410922	FEGRDNCDCXILCX-HEMYWOPUSA-N	492.484	3.222	50	40	JGGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)cn1	1425005	GOWQYZHQKMPEMB-CNHKJKLMSA-N	460.069	3.227	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1c(F)cccc1Cl	2234175	MTJWUZDOABYJCR-NUGSKGIGSA-N	463.922	3.438	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	6166395	FZQHSHHFJRXELG-ZETBIGNJSA-N	463.563	3.031	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc(S(=O)(=O)N(C)C)c1C	17202083	ZEZXGVAYFRLHLA-UHFFFAOYSA-N	481.574	3.061	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	19950318	ZZXSPHYULMZDAU-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	19953671	JMSYOGDCORRKOQ-WYZSWBMLSA-N	495.557	3.219	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OC	408756508	SNBLCGCKULBKAX-FBTHGLLTSA-N	461.584	3.246	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2cccc(C)c2)cc1	409063089	GTGYYSMYKWROTR-CVKSISIWSA-N	479.558	3.343	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1	409255189	HIPPAVHIGFGPFX-YOGAUDJFSA-N	494.470	3.096	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccccc12	1529544456	HIYQOEQEUYROJR-LWVVSQLESA-N	491.573	3.053	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(SC)cc3)nnn2-c2nonc2N)cc1	2199080	XSXUFSZTJQKRTA-ZMOGYAJESA-N	478.538	3.174	50	40	JGGB	
COc1ccc(OCCCC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	3398790	NTJVMPHRYIMBGT-UHFFFAOYSA-N	486.528	3.074	50	40	JGGB	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	9508556	IYBDHVCPIQVFPT-UHFFFAOYSA-N	476.558	3.040	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1	9612384	VQWNUKXYNUHMOC-UHFFFAOYSA-N	488.551	3.038	50	40	JGGB	
CCn1c(NNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc2c1=O	10680525	HRLKMNBNTBNLSU-UHFFFAOYSA-N	453.930	3.065	50	40	JGGB	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)[C@H](C)n1c(-c2ccccc2)nc2ccccc2c1=O	12082395	WGGMUJNMBWCULI-INIZCTEOSA-N	451.486	3.406	50	40	JGGB	
O=C(N/N=C/c1ccccc1Br)[C@@H]1C[C@H]1C(=O)N/N=C/c1ccccc1Br	13562584	ZJPKQTZFTSHLKO-ABXBDQSGSA-N	492.171	3.448	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	19950015	YJABWAPXUMXIAO-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1	20207905	VNOBJKYUGPAIMZ-PCLIKHOPSA-N	451.548	3.490	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1	58918103	NOXGOOHCGINBPQ-PCLIKHOPSA-N	465.531	3.112	50	40	JGGB	
COc1cc(C(=O)OCC(=O)/C(C#N)=C(/C)N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	104691848	UUBJYPSWQWQCEO-LGMDPLHJSA-N	491.422	3.214	50	40	JGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	408886947	MZBDCQYHBBESEA-SSDVNMTOSA-N	478.324	3.129	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c2ccccc2)cc1	408978256	HKAFULJYLGZXSV-VUEBRRCKSA-N	495.557	3.018	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1	409165172	UFISEGDMCMSRGA-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl	409262898	KNIRYSRZZKGKGP-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OC	3101514	CGIXTIWUNBTYLF-AWQFTUOYSA-N	474.682	3.491	50	40	JGGB	
Cc1ccccc1C(=O)NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	8927464	OWMWWAHVYKJPAA-VQIMIIECSA-N	460.889	3.051	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(N)=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	9284341	VPKDLNRHBQICEX-AWNIVKPZSA-N	468.819	3.411	50	40	JGGB	
O=C(COC(=O)CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	9591808	UXZBELBALQZLJT-UHFFFAOYSA-N	479.514	3.422	50	40	JGGB	
CCn1c(NNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc2c1=O	10323658	FGAGEPRTJOYYEX-HNNXBMFYSA-N	450.499	3.318	50	40	JGGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1	12250475	HRRCEUPSERTLJE-MRXNPFEDSA-N	481.530	3.201	50	40	JGGB	
O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)NC1CCCCC1	12558850	QWTGAZMGQPZUAP-IBGZPJMESA-N	453.568	3.234	50	40	JGGB	
CCN(CC)CN1C(=O)/C(=N\NC(=O)COc2ccccc2OC)c2cc(Br)ccc21	13513418	MNIHSYPCVWVNPO-DAFNUICNSA-N	489.370	3.003	50	40	JGGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)ccc21	408881043	LVSZYGJJPLEYRU-MDWZMJQESA-N	458.259	3.027	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1C#N	409242131	MMQKKODHDYTZKF-UUASQNMZSA-N	455.268	3.010	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1	409253835	VNGNHAWRBMXKFS-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)CCNC(=O)c2ccc3ccccc3c2)c2ccccc2c1=O	12894109	MJVFIEXNRUKUIZ-UHFFFAOYSA-N	499.571	3.321	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2C)cc1	16309539	FZFPRIUAPBLWFC-UHFFFAOYSA-N	476.558	3.280	50	40	JGGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1	195778929	KPNSXQNKDQMBAW-FRYIKTPZSA-N	485.730	3.040	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc(-n4c(C)ccc4C)cc3)C(=O)NC2=S)cc1	408753458	IXLGGTDOOJYWGN-WZRHPCBOSA-N	473.558	3.182	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1	409263088	KEFOKVLHNHOCLX-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2cccs2)c1	2617913	AHXZSSNPVRSQRE-VAWYXSNFSA-N	457.533	3.032	50	40	JGGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1O	2742769	RDDFMBONFGAGSD-BHGWPJFGSA-N	472.958	3.383	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3c(Cl)cccc3Cl)nnn2-c2nonc2N)c1	9292363	OZVMHGYNBBCZPM-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(C)c1	12630941	JVTSHROZOKSGKT-UHFFFAOYSA-N	479.605	3.097	50	40	JGGB	
Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1	13803970	JJSPKBILBUFMOX-ODCIPOBUSA-N	474.959	3.312	50	40	JGGB	
O=C(NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)O)NC1CCCCC1	25336581	ZWBJMVWKKQCLJV-UHFFFAOYSA-N	477.499	3.053	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCC(=O)O	408749080	LAFRHVGXJPHLNH-DNTJNYDQSA-N	488.665	3.181	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)ccc1O	408790108	NROFLGBYAVHICU-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408908656	XKWDGDVOEAZIKO-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	409004442	CXEJBFWRYLZGSE-CVKSISIWSA-N	469.538	3.484	50	40	JGGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)cc(OC)c1OC	409225507	QKHBJDIVYXPPJF-MXAYSNPKSA-N	495.444	3.309	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1	1088968	QEBOWDWUZIHIFC-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F	9318850	UYJZHKWYUQIXSI-PMACEKPBSA-N	453.495	3.325	50	40	JGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)COc1ccc(Br)c(C)c1	9805580	CZHIWZDSDKXDHN-ZVHZXABRSA-N	476.327	3.428	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1Br	12880836	CHUVXKCWUHHOCJ-CQSZACIVSA-N	464.747	3.416	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1	27022455	BIFXQVZHRCJXDO-CKNGIZQFSA-N	490.585	3.457	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1ccccc1	58873582	DZNKADJXYOVTRN-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1	408605061	JONIGEKYOCTSAH-XODNFHPESA-N	495.919	3.423	50	40	JGGB	
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408687241	TYQBCRLANQLJJV-NCPBCQDQSA-N	464.297	3.228	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	408782705	IUXVSXVRAJECOX-YZSQISJMSA-N	479.558	3.385	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	408978805	KJDCMJZWFUNKSD-OLCUMFGGSA-N	466.519	3.463	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1OC	409156510	OBKHCAHBGNKDPU-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1	409173510	JBGPKTOSGIWCSH-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409302882	LGZGMVIQQCVHMQ-WOJBJXKFSA-N	491.997	3.222	50	40	JGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1	409318122	TUQAFEAZWZRRFE-VQTJNVASSA-N	466.515	3.023	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C\c3ccccc3Cl)c2=O)=C(C#N)[C@H]1c1ccccc1Cl	1037344	RXQCJLSGHBQUCF-MAYQHFBPSA-N	451.338	3.168	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	15225364	WSBOSJZAGOJMAX-JFLMPSFJSA-N	497.548	3.262	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	20060570	ATQFDLADJZPJBG-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1	58882129	FDIWHBVKNWKLEM-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1	101317643	IMDUCHZVGXOYCB-UGJKGHESSA-N	450.969	3.106	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408770855	BJGIIMIGBBMGLO-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1	409160661	VOQMHJFJJMKGOE-KBKYJPHKSA-N	469.881	3.252	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1O	1774909	AZQRWWJULWWLFG-WJDWOHSUSA-N	461.952	3.098	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(Cl)cc1Cl	8781131	JQYXRGUFHFMJJL-AUEPDCJTSA-N	457.281	3.360	50	40	JGGB	
O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1	16430385	ZHBZWUNSZZPMMR-HOEBFWFUSA-N	491.320	3.168	50	40	JGGB	
O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc2cc(Br)ccc2o1	33305859	OMXDXLGPACCKNB-CFRMEGHHSA-N	486.322	3.197	50	40	JGGB	
COc1cc(C(=O)Nc2ccc(Cl)cc2[C@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC	58984537	YKDIHUDPDBNQTA-HSZRJFAPSA-N	498.967	3.287	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(OCC)cc1	408609176	JOIUKEVKASIOFZ-VULFUBBASA-N	474.945	3.123	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1	408781602	CEWSFZSAKLTMNE-HYARGMPZSA-N	453.948	3.054	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409153860	IWUOZAKBECBMCQ-KBKYJPHKSA-N	495.363	3.242	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2c(c1)OCO2	409159893	BFRPRNFGKYZBIM-BLLMUTORSA-N	458.062	3.115	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)c1	2320249	JWRVOGPGWVMCNC-SRZZPIQSSA-N	460.357	3.496	50	40	JGGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1	8427132	VHOAMEPDEWBZHM-YXNRUMOYSA-N	490.472	3.239	50	40	JGGB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccccc1Br	8820241	DNCYHMWIBTUARB-MDWZMJQESA-N	482.406	3.173	50	40	JGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1	14921668	TVCPRJDZJZGISJ-WGOQTCKBSA-N	473.489	3.355	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	20059748	JJUYASQZQDVCHD-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408773355	PWAMQPCTQFLYPR-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1O	408774276	UJMSESJMHUUONR-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)O	408774498	OXBVOLGIXMHDHG-QNGOZBTKSA-N	461.518	3.143	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(Br)cc2)cc1	408839950	DOUIKPMXRIZQQV-UHFFFAOYSA-N	493.427	3.151	50	40	JGGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)cc1	409059803	XMPICBPYCFYBRJ-PPDIBHTLSA-N	455.396	3.204	50	40	JGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1	409223151	GUCSHGKXNHJVFH-KSEXSDGBSA-N	478.373	3.215	50	40	JGGB	
N#CC1=C(N)C(C#N)=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1c(F)cccc1Cl	1053040	LMNATNRDAGKBHX-FMDURADSSA-N	487.318	3.337	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O	1249241	GIUHSNQZPPEGEE-AFUMVMLFSA-N	460.515	3.342	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1OC	8722038	FOSITALUCXMRJT-WGARJPEWSA-N	455.898	3.426	50	40	JGGB	
CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	9670273	LFVMFEPYWCNYGN-UHFFFAOYSA-N	477.270	3.344	50	40	JGGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccoc1	17521300	WGRZOGKPTCCSBG-UHFFFAOYSA-N	453.398	3.174	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1	58873663	MZWMGBXAJWNBJF-NLTKLDOMSA-N	474.517	3.040	50	40	JGGB	
C[C@@H]1CC(=O)N(C(=O)CCBr)c2ccc([N+](=O)[O-])cc2N1C(=O)CCBr	98003526	BNYOUTCTHDQYRG-SNVBAGLBSA-N	491.136	3.150	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(C(F)(F)F)c1	408775577	IHFXUPARGNGDNL-LSFURLLWSA-N	478.836	3.183	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cccc(Br)c2)cc1	408858678	KLUQEMNVCRUJGR-UHFFFAOYSA-N	493.427	3.151	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccccc2)cc1	409116945	KDVATHDLDBWCCP-CVKSISIWSA-N	482.537	3.125	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OCC)c1	409154236	KBTNVUQLUMDYHJ-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
COc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)Nc4ccc(Br)cc42)C(C#N)=C(N)O3)cc1OC	1087489	JBZMJJQPLNNVDD-QFIPXVFZSA-N	494.305	3.181	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1F	9320621	ZTJVVOFPQFWBLE-VQTJNVASSA-N	453.495	3.244	50	40	JGGB	
CN(Cc1c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nnn1-c1nonc1N)C1CCCCC1	9479408	PMFFXHVDXAVYRS-YSURURNPSA-N	492.371	3.068	50	40	JGGB	
CCOc1ccc(NC(=O)CCC(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1	18118493	WAYRVCOKHBUIIT-UHFFFAOYSA-N	473.327	3.348	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1C#N	27497294	RSMFQJPSUIOUEJ-UVHMKAGCSA-N	489.488	3.424	50	40	JGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	36237415	AVMVTMALRAHQKR-GXHLCREISA-N	467.232	3.117	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)Nc1ccccc1Cl	59959984	LRGFSOUEBSIFSX-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	408727246	PLANQVYEMIFOPC-BUVRLJJBSA-N	482.518	3.334	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1	408749786	UHHPLVDKTDFOEO-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)c(I)c1	408962079	GHMQVIYMCBIAKJ-CAOOACKPSA-N	457.249	3.147	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408967262	UEOSMOBSLMDKFA-LSFURLLWSA-N	461.814	3.319	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	408999749	VPRZXFKWGMBKQQ-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)[C@@H](C(=O)OC)C(=O)N2)cc1	409134959	QIDTVHJDZLYMPH-NHCUHLMSSA-N	465.531	3.195	50	40	JGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1	2251673	FIDQMAQZQZXOKT-HSZRJFAPSA-N	459.502	3.449	50	40	JGGB	
Cc1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)c(=O)n(-c2ccccc2)n1C	9087939	MIBRHCDNEYTWIC-GOSISDBHSA-N	491.548	3.334	50	40	JGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCCn4ccnc4)c(=O)c32)cc1OC	9124176	WQIRXEVLZVFZRZ-QFIPXVFZSA-N	461.522	3.069	50	40	JGGB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C[C@@H](C)O1	9381929	GZLDDTXGSKKFPL-VXGBXAGGSA-N	482.534	3.129	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1	19950490	LCRIGQPEXLJRSP-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1	59435888	LVRDFNLLRUOFMU-WGOQTCKBSA-N	499.976	3.422	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1	408774511	LXQZXTTUVUCLAR-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	408978806	KJDCMJZWFUNKSD-ZHNJOBQTSA-N	466.519	3.463	50	40	JGGB	
CC(=O)Nc1ccc(/C=C\c2ccc(N=C=S)c(S(=O)(=O)O)c2)c(S(=O)(=O)O)c1	5662636	JHOKKBDKGXRSTJ-RQOWECAXSA-N	454.507	3.043	50	40	JGGB	
COc1cccc(-n2c(CC(=O)NNC(=O)c3ccc(C#N)cc3)cs/c2=N\Cc2ccco2)c1	9442531	MORZAYNYLBQVKS-RFBIWTDZSA-N	487.541	3.117	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC	16195180	CWWORXCVWKDXSV-PGGKNCGUSA-N	459.808	3.473	50	40	JGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccc2c(c1)OCCO2	24749277	OIEVMFUYFIBUDI-VQHVLOKHSA-N	456.861	3.219	50	40	JGGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1	195989302	KPNSXQNKDQMBAW-MTFMMBMASA-N	485.730	3.040	50	40	JGGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSc1nc(C)cc(COC)c1C#N	408995368	BUMNWJZKLJUTEH-WYMPLXKRSA-N	470.555	3.405	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409024616	LERRUBHXOYDDGX-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OC	409366437	RTEVHWGRHQFIIJ-ZVBGSRNCSA-N	457.243	3.010	50	40	JGGB	
O=C(NNC(=S)NCc1ccco1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	3322497	MXOJMBYUVGOXAM-UHFFFAOYSA-N	498.508	3.408	50	40	JGGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccc(Br)cc31)C(C#N)=C(N)O2	9972399	PMCJOBOJDHJROE-QFIPXVFZSA-N	462.307	3.400	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OC	20215012	PMUQTLDIIXZAFN-PCLIKHOPSA-N	467.547	3.330	50	40	JGGB	
Cc1ccc(C)c(N2C[C@@H](C(=O)N/N=C/c3ccc(I)cc3)CC2=O)c1	59417690	ZMXHZPAAGXJXTB-RSFOSLOZSA-N	461.303	3.411	50	40	JGGB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1	408673823	VVLUJTVUEHSVAK-DKJTXKKOSA-N	490.579	3.056	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC	408904451	JQUZWLHZLUOGSV-FMCGGJTJSA-N	455.423	3.446	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2OCC#N)c2ccccc2)cc1	409002263	MTNFJOUXRIACLC-UBCTUXONSA-N	476.558	3.457	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccccc2)cc1OC	409119870	RGRCAIYNBMMQAX-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccccc1	409236073	ROXHLTYDIVSTSR-DHRITJCHSA-N	479.562	3.362	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)n1	409239059	FZYVBLVMJSCDEM-CGOBSMCZSA-N	487.763	3.215	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)ccc1OC(C)C	1856893	MGBJWGKOQKZMAB-FSJBWODESA-N	484.538	3.429	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OCC	20209912	CPJSERUAIYPIHQ-LPYMAVHISA-N	498.399	3.163	50	40	JGGB	
CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O	408638706	DATLPTCGMGSETI-KRWDZBQOSA-N	458.356	3.388	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)NNC(=O)c1ccccc1Cl	408648465	YGZDGUQFUYUTFP-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408750492	NUWVNGFKFIJAMO-JFLMPSFJSA-N	482.920	3.287	50	40	JGGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)c1	409009517	AQTVMAMYDCGWLD-YUMHPJSZSA-N	477.517	3.423	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)cc1	409114668	PQDJQSSFLQHZGI-HZHRSRAPSA-N	452.492	3.492	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1C#N	409230381	CNKZIMNGIONTNW-APSNUPSMSA-N	469.295	3.400	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2F)cc1	8439822	VWMYHXQGSFNQOC-JVWAILMASA-N	480.521	3.382	50	40	JGGB	
O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	8637302	JUZFODOYRRBWHR-QFIPXVFZSA-N	477.473	3.154	50	40	JGGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N[C@@H]1CCS(=O)(=O)C1	13037737	ABSBSHIPKPFBIW-VOMPUTFMSA-N	472.526	3.496	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	19950697	CXIQXNYQJWFDKD-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1Br)S(C)(=O)=O	20212596	MVSSGQKIWVFKRN-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	36047216	KOCJEIKABFWDMB-CFRMEGHHSA-N	476.917	3.008	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1	58918680	NHFDXNAOCVMJHJ-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)c1	408612249	XZZQPDCFZZIARS-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccccc2)cc1	409129500	GXDYFSSSTWSVLB-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
CCOc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1	409147306	VQNDUTGAVZZOLI-UHFFFAOYSA-N	479.002	3.132	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OCC)c1	409165323	WIIVZIHMGHZRLZ-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OC	409319354	DYVIHHRJBUKJJM-NHDPSOOVSA-N	482.274	3.343	50	40	JGGB	
Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)cc1	10078396	HQRLZJVLIRQGPM-HBFAPYFHSA-N	484.043	3.310	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Br)cc2)c(C)c1	16267334	XFWMXZXPTYKNKP-SRZZPIQSSA-N	452.374	3.145	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc(C)c1	59246844	LOAPPLQSIAYKPX-CFRMEGHHSA-N	476.371	3.127	50	40	JGGB	
O=C(C[C@H](NCc1ccco1)C(=O)O)N/N=c1\scc(-c2ccccc2)n1Cc1ccco1	101455611	HDCOEYOZISJDLS-HGFVNXKRSA-N	466.519	3.016	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl	138658858	JCYVJVUQUZKIKE-UHFFFAOYSA-N	466.321	3.415	50	40	JGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(C#N)c1C	408546326	GSAJJXRFWJDXIN-UUILKARUSA-N	470.419	3.346	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1	408780354	BDTJHUODFXUWNQ-CIAFOILYSA-N	452.374	3.489	50	40	JGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1	408786836	OKHSYGVUIXDPJH-WGOQTCKBSA-N	479.558	3.439	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1	409253713	BWQNKYDYLDOWLY-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1	409256414	OKMGJJNGVJWMCX-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OC)c3)[C@@H]2C1	8920628	LJNLRQSBOGBDMY-DENIHFKCSA-N	461.522	3.364	50	40	JGGB	
CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1	12521049	LJEYPJLJCKJTGV-MRXNPFEDSA-N	455.536	3.220	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2)c1	19951444	HSRLTSXVIVNSML-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OC)cc3)S(C)(=O)=O)o2)cc1	20210330	OERFBZDWJHSSCA-MFKUBSTISA-N	499.545	3.048	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(OC)c1	58881847	PEIFXQOENKVGHK-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c(Cl)nc2c1	58925036	OCOUBLIGZKUDFL-FOKLQQMPSA-N	481.361	3.467	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@H]3[C@H]5[C@@H](I)[C@H]4[C@@H]23)c([N+](=O)[O-])c1	195528801	ONQRMRLNRDSIAF-CZQGKQRNSA-N	466.235	3.462	50	40	JGGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Br)cc3)s2)cc1	825476	COWIXOYGNIJLRL-SRZZPIQSSA-N	474.340	3.254	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1OC	892228	PAHXZCLMWZETJF-UHFFFAOYSA-N	490.383	3.289	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	19950190	REKBGNLOHFKXGM-MFKUBSTISA-N	485.949	3.472	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)cc2)cc1	20059813	VFTBYDNXSSHMPE-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	26633353	KPLMFHRQOBBZAZ-KHYOSLBOSA-N	476.371	3.209	50	40	JGGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)c1	35199400	MNDNEUBWLSVFRW-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCC2)cc1OC	59443933	ZCSUAJSEFCNAOI-UHFFFAOYSA-N	473.595	3.374	50	40	JGGB	
CSCC[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	103016822	HQFUHOXYYXAZDG-XSWHYFMGSA-N	498.048	3.384	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OC(C)=O	408757819	CRFHXJLCSXUCIK-LZYBPNLTSA-N	476.270	3.448	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	409027354	CTZOFYZXFKJQSF-PCLIKHOPSA-N	467.547	3.309	50	40	JGGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(O)c(Br)c1O	409085887	TWGWSPSYDVTQCW-KPSZGOFPSA-N	472.089	3.044	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1	409259311	YRFMGEFBMVRLJU-STBIYBPSSA-N	472.545	3.341	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)c1C	2085050	JCNRKMMOWKWIIX-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8763233	YCUPYGNYTAKIOU-UPAIQECESA-N	490.482	3.286	50	40	JGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(I)ccc1O	9289346	KEIGBAWUVVXBEF-GIJQJNRQSA-N	459.081	3.452	50	40	JGGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc12	9381747	YCMZTWILIHWIAF-CQSZACIVSA-N	460.581	3.482	50	40	JGGB	
N#CC1=C(N)N(S(=O)(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	20086020	LGWAPHZMUZHERA-VXKWHMMOSA-N	474.498	3.328	50	40	JGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(I)c2)cc1OC	100301776	JZMIIBYHIWHVNV-WSDLNYQXSA-N	481.290	3.443	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1	408602582	DVHSIRMVARPRKR-IPPBACCNSA-N	493.491	3.299	50	40	JGGB	
COC(=O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	408745966	BPUMACIIXREENB-YSMPRRRNSA-N	497.345	3.387	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)O	408794087	HRPYXPMUTTUXRZ-LFYBBSHMSA-N	476.239	3.375	50	40	JGGB	
O=C(N/N=C/c1ccc2c(c1)OCCO2)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	3037984	RZYCQZHRCLXHID-XVZKFWCKSA-N	472.457	3.287	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Nc3ccc(F)cc3)c2)cc1	3254847	SCXIXZWNJSUWGX-UHFFFAOYSA-N	458.471	3.102	50	40	JGGB	
COc1ccc(C[C@H]2S/C(=C(\C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1	11690311	IMILJOMWXJIGKL-PBEQFFAXSA-N	458.337	3.369	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1	59437073	XDUDHAVRUKMKDD-OVVQPSECSA-N	476.558	3.497	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408978578	JEYSUTNZMADBTL-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1	2394917	FTUZFPVLCQZPHE-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	8780682	SLBFMGJBLLVCTK-AWQFTUOYSA-N	473.243	3.274	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(O)cc1	8820533	OTTYSUCSKUJKDY-DURWOYGOSA-N	467.572	3.391	50	40	JGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	8829423	QGCZBHATUMZYPQ-ROHHWKQTSA-N	457.442	3.065	50	40	JGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)c1	9192769	WENDJCHIYQRWFM-LJQANCHMSA-N	462.462	3.246	50	40	JGGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(O)c(O)c(Br)c2)c(Br)c1	36237509	OZSVXFDCXZOWEI-GXHLCREISA-N	458.106	3.460	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@H](C(C)=O)[C@@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	100363609	HAHWMQFIDWVHBU-UCDMOQQMSA-N	453.580	3.055	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Br)cc1	408579721	OMZWFEMCTAYGNG-GFCCVEGCSA-N	481.144	3.026	50	40	JGGB	
O=C(Nc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1)c1ccccc1	408685197	OYUZNJSANIQVFE-VWQYPGANSA-N	455.308	3.448	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c[nH]c2ccccc12	408943257	HIYQOEQEUYROJR-HSZRJFAPSA-N	491.573	3.053	50	40	JGGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1	409325888	CIBDHGPSMGFHPE-HXUWFJFHSA-N	461.543	3.130	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1Br	1266447	ZELGRMMRYOIXBG-LIRRHRJNSA-N	472.339	3.325	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1	20061080	BGNSYHRQIBVDCR-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
CN(CCO)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1	24035636	JWFIGDLRUPPDJX-PCLIKHOPSA-N	486.981	3.333	50	40	JGGB	
COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21	46084809	RPSCOTJKJPIVQV-FVDSYPCUSA-N	459.502	3.329	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1	409150349	BPWGNDFCSOIPFM-MZJWZYIUSA-N	468.554	3.004	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1	409248699	FMYXCUQCYIFTIF-STBIYBPSSA-N	472.545	3.341	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1Cl	409255912	JKMFYKFMGPWPME-VSRRSJTHSA-N	474.945	3.121	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	409268849	BMNUJJQUFLYAEI-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1O	8683232	ABURDUMLEUCKOY-LABBUYSVSA-N	459.458	3.051	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)o2)cc1	20207612	ALYBQZQYOIEHHR-MFKUBSTISA-N	483.546	3.348	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc(OC)c1OC(C)=O	27551122	DCDLPXSFUCHWSR-GOSISDBHSA-N	477.433	3.146	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCC(=O)OC	409018786	UVMLSZOJVMVHRR-ZRGSRPPYSA-N	471.897	3.368	50	40	JGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I	409191830	OHBZIJKTPFMIDY-AWQFTUOYSA-N	472.666	3.260	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cc1	3272620	NDIGJGSZGDGZSL-ZNTNEXAZSA-N	468.560	3.295	50	40	JGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)N2)cc1	9089235	LFTLESOOHFCXFI-KRWDZBQOSA-N	483.546	3.432	50	40	JGGB	
N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	9328121	SWJIRMOXTAIUAM-DQRAZIAOSA-N	451.442	3.336	50	40	JGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)ccc1O	59720944	IZYLBEXTTHPIMN-UFWORHAWSA-N	474.096	3.322	50	40	JGGB	
O=C(Cc1csc(N2CCOCC2)n1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	105854294	GYXWKSAIALLXRU-SLMZUGIISA-N	495.992	3.243	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1	409270370	DVTOZABTYRDINP-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cccc(Cl)c2)cc1	409332767	QZHNCTMGRYISLH-SLEBQGDGSA-N	496.976	3.341	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(I)c(O)c1	832381	NLAPJRLTZGHIQN-REZTVBANSA-N	461.053	3.229	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccccc1O	1434972	RFNCLXXWIBPMAW-UFWORHAWSA-N	458.106	3.455	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1	20209072	COTUCRKMVDOCHW-FSJBWODESA-N	461.609	3.221	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1	408645077	JRXYBWJOWYASOD-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1O	408761263	DMNLJQKYCARVAR-FOKLQQMPSA-N	491.285	3.473	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409251780	BNBTYHNLNWAWTQ-OPEKNORGSA-N	493.347	3.138	50	40	JGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1	409318119	TUQAFEAZWZRRFE-UXHICEINSA-N	466.515	3.023	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1	9356733	BPKZAOJYNXVXRH-NUGSKGIGSA-N	473.280	3.066	50	40	JGGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C[C@H](C)O1	9381928	GZLDDTXGSKKFPL-RYUDHWBXSA-N	482.534	3.129	50	40	JGGB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)cc2)cc1C	16072579	JHVGGOYKWZYDAA-KRWDZBQOSA-N	485.537	3.472	50	40	JGGB	
N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	23224681	OWQQBDQLJKYDHI-FRQCXROJSA-N	485.484	3.278	50	40	JGGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)CCn3cnc([N+](=O)[O-])c3)cc2)ccc1Cl	24745598	YJIUPHBIQSAQNY-UHFFFAOYSA-N	457.874	3.183	50	40	JGGB	
C/C(=N\NC(=O)c1cccc(CSc2nnc(C)s2)c1)c1ccc(-n2cnnn2)cc1	25783174	VKKJRXVCGJCCFY-LPYMAVHISA-N	450.553	3.269	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	59246617	UNCJBMNLFNTBSN-KSEXSDGBSA-N	467.309	3.263	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1	408748524	DMYRKVAAJXFWNT-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408797516	SFYUOLAGZMNHTF-OQLLNIDSSA-N	473.279	3.333	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OCC(=O)O	408851035	UTQNWDBUQINNKU-OGLMXYFKSA-N	474.513	3.273	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)ccc1O	2084994	QLMYKCCNSAXXPP-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1	9535171	CTJNDOSEVWNNFJ-GOSISDBHSA-N	489.960	3.470	50	40	JGGB	
COc1cc(Br)c(CC(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1OC	27237020	HLZNLCOFLFYQGG-UHFFFAOYSA-N	481.343	3.266	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1	58881637	NWHSOKCTBNHXAR-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	59247168	QISIKADYPXGNRE-QQXSKIMKSA-N	482.537	3.083	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	59418982	AYJHIZPSHHQHLU-SSDVNMTOSA-N	451.830	3.312	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	59921727	JYWJJYSROFNRAS-HZHRSRAPSA-N	493.427	3.066	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1Cl	408659683	OZMQLVCBHJTIKP-LVNJIZSUSA-N	454.910	3.189	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1	408777917	LYNYXIXRHNIHMQ-WSDLNYQXSA-N	492.351	3.293	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)cc1C	409150320	BAECODTZTWXXPK-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1	409267557	NSSIJGSOGXZEOF-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O	6166421	PBQKWNLPRXQBRO-NBTNTKHBSA-N	454.552	3.398	50	40	JGGB	
COc1ccc([C@H](CC(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)NC(C)=O)cc1	10124420	CEVXUMBJFRKFNQ-QHCPKHFHSA-N	466.513	3.270	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	18173184	XZYVEGAPYMDIBG-PCLIKHOPSA-N	465.531	3.203	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1OC	19955526	FQPMNXFONQRMFF-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
O=C(NNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1csc(N2CCOCC2)n1	22529874	ZDEGMVHTSMFUBV-UHFFFAOYSA-N	498.952	3.154	50	40	JGGB	
Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1Cl	408665136	UOWWALCTVUCOJL-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nc3ccccc3c2=O)cc1	1269603	FBLFBHITODXIRA-AFUMVMLFSA-N	460.515	3.342	50	40	JGGB	
COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1cc([N+](=O)[O-])cn1	1750436	QXSPZWOICXWQMR-UGKGYDQZSA-N	455.478	3.442	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	8452152	YFUONKXRIXHKDC-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
CC/C(=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)F)cc1	9140266	NYIAKNGHNVOEIX-YYADALCUSA-N	495.548	3.172	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1C#N	27519390	PNQYEDGVPBHVBT-PGGKNCGUSA-N	456.300	3.181	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	59472972	FQTASTHHWOVHOV-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@H](C/C(=N\NC(N)=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O	70665748	UILOSARPFFZCST-NAFYEYBASA-N	486.701	3.342	50	40	JGGB	
O=C(N/N=C\c1ccc(O)c(I)c1)C(O)(c1ccccc1)c1ccccc1	83330101	NRGCGLUWEDDOJP-UCQKPKSFSA-N	472.282	3.383	50	40	JGGB	
CC[C@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O	100771451	CFNIGCYRNHVPFF-NDDCRPSGSA-N	497.585	3.133	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1	408612933	XMGMVFZQJMTJOO-SQAVSUBZSA-N	458.946	3.285	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)OCCO2	409027614	NQOUTSYNNGZVGR-WSDLNYQXSA-N	472.350	3.071	50	40	JGGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)NC(N)=O	409221211	MQQMXWFYNWWLDM-QPEQYQDCSA-N	465.222	3.111	50	40	JGGB	
COc1cccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1OC	409331363	BTAIIOMXMPAQHU-CPUXBYDOSA-N	457.527	3.264	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1	1529544766	NRHJBHTYJDBRQE-PXYXSCDOSA-N	486.981	3.225	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)c(OC)c1	2700178	YONFLZZITDTVND-QHCPKHFHSA-N	473.485	3.169	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2)cc(Br)c1OCC(N)=O	9305759	JJVBRDHHKIIXIN-DHRITJCHSA-N	492.370	3.194	50	40	JGGB	
O=C(N/N=C(\C1=Nc2ccc(Cl)cc2N[C@@H]1O)[C@@H](O)/C=C/c1ccccc1)c1ccncc1	17211346	LEKNKTRSTKTQQF-FFBQIZROSA-N	461.909	3.412	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20211741	PDBHQROAUURCSF-WPWMEQJKSA-N	482.537	3.384	50	40	JGGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)NNC(=O)c1ccccc1Cl	408667775	KSDQHXRMSAJXJJ-NSHDSACASA-N	484.723	3.004	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2ccc(I)o2)ccc1I	408747615	QKPPLQPZFWQGQP-FRKPEAEDSA-N	496.042	3.261	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1	408889054	BESCVPYJXLETSC-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Cl)c1O	409001340	HVNHMGWPTWQCCE-IZWKTHEGSA-N	485.928	3.155	50	40	JGGB	
COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409012620	KUAIOHYRPIDCQL-AWQFTUOYSA-N	468.247	3.047	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1cc(Cl)cc(Cl)c1	409265049	NMEZMNZPOSGZLJ-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccccc1O	9356934	RRCUFOLIFRGTIB-FOKLQQMPSA-N	484.929	3.038	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1	59435856	GJSUZMSNCFHDCD-ZVHZXABRSA-N	457.939	3.387	50	40	JGGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1[N+](=O)[O-]	408757135	XHZPINRJNOMVPY-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O	2420700	UVTOWEHGNDFUDR-SAPNQHFASA-N	450.470	3.384	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3230107	NHATVIRQBWPNCG-SSDVNMTOSA-N	461.883	3.022	50	40	JGGB	
CN1C(=C(C#N)C(=O)COC(=O)c2ccccc2SCC(=O)NC2CC2)N(C)c2ccccc21	25780124	XWWMDEBPNMNHCQ-UHFFFAOYSA-N	476.558	3.105	50	40	JGGB	
O=C(Cc1ccccc1F)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	33466907	QFYKZEIHIGSZIR-UHFFFAOYSA-N	489.956	3.060	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1Cl	138960944	PSUUOXBWFCXMCU-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1O	408775736	KKGVZODNHWDEHP-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1OC	408785164	YHHNZXZQGICDSZ-LFVJCYFKSA-N	461.584	3.308	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	408895175	UDKTWWCNJVUDMU-YDZHTSKRSA-N	459.959	3.059	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cc(C)cc(C)c2)cc1	409350480	XWHQEASLWWDRNS-AZPGRJICSA-N	490.585	3.304	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1	6279973	MLOJSIIUFOYOEY-MFKUBSTISA-N	468.579	3.327	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1	8452603	NJTSQXOOYRJYHQ-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	26633345	KPLMFHRQOBBZAZ-QMTMVMCOSA-N	476.371	3.209	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)Cc2ccccc2)cc1	59435465	HVAMBNZGLIPGSQ-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408772849	RUHRJIZNYKKPES-NLRVBDNBSA-N	497.573	3.454	50	40	JGGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(OC)c1	408921978	CYYOBKULEHJHOZ-GLYQIKNISA-N	494.548	3.149	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccccc2)cc1OC	409135383	UUPPZUQJXVCDQB-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409154355	NSIIPZOKYDETLN-YSURURNPSA-N	495.761	3.015	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	409262442	DQMSGCGXYUFFIB-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)cc1	409272048	NZJBGOZVQUDTPB-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccncc1	1867850	NRDXBXOKEQYQOY-FOWTUZBSSA-N	460.968	3.178	50	40	JGGB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)c1	8819215	KZBDOJAYFRRKFP-RGEXLXHISA-N	469.588	3.446	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1cccc(Br)c1	20209834	IZMBUGQZGIZROP-VXLYETTFSA-N	489.189	3.128	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1OCC	20213546	WJOQMZQXIRVOMI-YZSQISJMSA-N	482.562	3.225	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc(Br)c1	408582766	XMYNOXPYUOWWRP-GFCCVEGCSA-N	481.144	3.026	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc2ccccc2c1	408744086	YPSAEKOZTHAGCB-SZMVHAFZSA-N	495.358	3.382	50	40	JGGB	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408849878	AEZBKTLLQLIKOT-CPHRPENTSA-N	470.334	3.026	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	408970228	CYCQVQWYFNKZTF-OGLMXYFKSA-N	477.540	3.041	50	40	JGGB	
CCc1ccc(-n2nc(C(=O)N/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1	409058238	JRJZYNXOMHABCG-LQKURTRISA-N	495.499	3.438	50	40	JGGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2	2225796	UMMSBERAHRFWFA-XMMPIXPASA-N	489.528	3.458	50	40	JGGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	2278052	NWXNRIRRKWIYIW-YRUIYKTESA-N	467.525	3.423	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OC)c3)[C@@H]2C1	8920621	LJNLRQSBOGBDMY-KNQAVFIVSA-N	461.522	3.364	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(OC(C)C)cc3)nnn2-c2nonc2N)cc1	9497865	JPAKGJDCKCLONA-BRJLIKDPSA-N	492.565	3.384	50	40	JGGB	
COc1cc(Br)cc2cc(C(=O)NNC(=O)c3cccc(Cl)c3)c(=O)oc12	11565774	XCHYCDDDWNEXAF-UHFFFAOYSA-N	451.660	3.292	50	40	JGGB	
Cc1ccc(SCC(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1	12673587	QRVKATYXWDEHIW-UHFFFAOYSA-N	473.551	3.488	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)ccc1O	19950278	PRUNMTMOYBTNOK-MFKUBSTISA-N	471.510	3.276	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1OC	20059269	JBDDTKODXYEJID-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc2c(c1)OCO2)Cc1ccccc1	33687476	PHZRFHOZOFPWBK-WGARJPEWSA-N	495.557	3.074	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl	408612953	XQUQRKYHXSJFQS-OLWYRFLESA-N	480.348	3.326	50	40	JGGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)N(c1ccccc1)S(C)(=O)=O	408905967	BNFKBYIMEXXBFR-LEBHPONQSA-N	496.545	3.479	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	409073838	TZOBCLFJFVWWHE-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1	409268323	YZTZDVQWRXSDAF-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(OC)cc1	639096	OKZFYVLCBGUZCO-UXHICEINSA-N	485.949	3.458	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(O)c1	2252272	RXFZTENYYPQMSB-WJDWOHSUSA-N	461.952	3.098	50	40	JGGB	
COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c21	9237637	NRZAMYVBJBRHSU-IFXJQAMLSA-N	472.339	3.325	50	40	JGGB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1	9635009	WNHGCAOIFPXSHJ-OAHLLOKOSA-N	453.495	3.040	50	40	JGGB	
O=C(NNC(=O)c1cccn1Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1	12742118	ZMLQLROJDKEGFD-UHFFFAOYSA-N	480.571	3.474	50	40	JGGB	
CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1)OCCO3	13503640	WYBDVGVZKPHUJX-UHFFFAOYSA-N	453.520	3.130	50	40	JGGB	
N#CC1=C(N)N(S(=O)(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	20086024	LGWAPHZMUZHERA-FCHUYYIVSA-N	474.498	3.328	50	40	JGGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cnn(Cc4ccccc4)c3)c12	22568276	XAGAFWHVNDHONE-UHFFFAOYSA-N	460.567	3.030	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408907825	SVOUASVNTWZUIO-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccccc2)cc1	408912339	PUTRLPXCAOBXRV-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O	408927231	YSDFQDMZZYRGKA-VKELSTCCSA-N	494.573	3.009	50	40	JGGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	408994351	YSRAFRKZPZOFHL-ZKAWIHBPSA-N	455.902	3.060	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1	409172062	BKDVROILKWXWPP-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1OC	409311805	IIFSYHNWIPBHMP-VROXFSQNSA-N	454.310	3.419	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(OCC(=O)N/N=C/c3ccc(C)cc3)cc2)cc1	16291546	CSVKPDQLZZYRBJ-DPCVLPDWSA-N	458.518	3.362	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NC1CCCCC1	59960123	OHPVOQXOKFBPCH-AFUMVMLFSA-N	456.930	3.257	50	40	JGGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)c1	408849910	APZIJWYTJUAKNG-UUYOSTAYSA-N	450.333	3.279	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	409266741	YCLQBQBJCIBNBU-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\CCC)c3ccc(O)cc3)nnn2-c2nonc2N)cc1	9328825	DOZHHNDNSKIHOM-LGUFXXKBSA-N	490.524	3.328	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1	9631544	AOUXQCQDPYTYSG-UHFFFAOYSA-N	483.590	3.473	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccc2n1	9635319	JGXXUVNIXPWOGD-UHFFFAOYSA-N	466.544	3.480	50	40	JGGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1	34687808	DDKUXXFWDHQCAC-QQXSKIMKSA-N	497.573	3.054	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)cc1	39964442	SJHQSLJOCWKHSV-MOSHPQCFSA-N	453.495	3.017	50	40	JGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)c(C(=O)OCC)c1C	408546189	DVOSPVKBXBXMRM-MHWRWJLKSA-N	495.557	3.319	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1	408771166	DQRGRPYOAMMQFI-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1	408845858	ZSRTUFBJYALJIT-VKAVYKQESA-N	458.474	3.479	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1C	409166118	CQBYVNNQRDMEEF-UVHMKAGCSA-N	488.972	3.287	50	40	JGGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O	2409582	XRTPTSHQEADJNV-FOWTUZBSSA-N	452.898	3.427	50	40	JGGB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2)C1	9561976	BSCDGGYJFWXRDB-CALCHBBNSA-N	494.573	3.352	50	40	JGGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)nc12	18007453	MYKSZQJQZWONQG-GASCZTMLSA-N	460.581	3.160	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Br	20211034	RXIXECGNTYTIKU-ODCIPOBUSA-N	482.278	3.286	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(I)c1O	30802383	DGMWTLBHGZFJEW-UWVJOHFNSA-N	460.655	3.188	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(F)cc2)Cc2ccccc2)cc1C	33863557	HHIZWHKUTFPCQJ-YSMPRRRNSA-N	469.538	3.484	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1OC	59443782	RKMLXYBRWTWEOP-PCLIKHOPSA-N	483.546	3.194	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332891	RBFGASJFBHLRGG-YWUCIWQNSA-N	474.554	3.229	50	40	JGGB	
O=C(/C=C/c1ccco1)NCC(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21	100390682	MPLLGVUJJDPYBR-JURZUMPTSA-N	462.893	3.130	50	40	JGGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCC#N)c(OCC)c1	408999419	CSHWZTWUCNSNQX-KZJCWCHPSA-N	477.521	3.276	50	40	JGGB	
COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1O	409025627	VEQMDDOPAIWJBP-XUANBZSPSA-N	483.546	3.498	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCC	409046460	KHABUWHHTOSTJY-KEBDBYFISA-N	499.261	3.466	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1	409157690	RNJJTKVRMCCCKR-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1	409260289	OBEFODGUFABNQJ-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
O=C(CNC(=O)c1ccncc1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	1247749	HRLKRCXIAXQDLU-ANYBSYGZSA-N	482.327	3.186	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1	2737087	LUZUZCJAUIXTAX-ZTPQWFJTSA-N	487.512	3.412	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1F	9320617	ZTJVVOFPQFWBLE-PMACEKPBSA-N	453.495	3.244	50	40	JGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	35084888	UTXGBTREHGIPGZ-QFEZKATASA-N	450.426	3.444	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1	100959316	GHKPOJAEJLOAEJ-CIPMJJFUSA-N	480.517	3.184	50	40	JGGB	
O=C1OC(=O)[C@@]23[C@H]4[C@H]5[C@H](Br)CC[C@@H]5[C@H]5[C@@H]4[C@H]4[C@@H]([C@@H]6[C@@H](CC[C@H]6Br)[C@H]42)[C@]153	104285559	SUCSRMYAWNBEFQ-FKWJSZRQSA-N	468.185	3.387	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1	408611450	QZKARMAYBVJHTG-UVHMKAGCSA-N	482.924	3.279	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)c2ccccc2)cc1	408908950	ZFOLDGQFDPKIEP-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OCC(=O)O	408909871	FHMFVBQCBWLZTQ-AUEPDCJTSA-N	479.327	3.457	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1O	409254355	XBJLKMJHSORCFV-SRZZPIQSSA-N	481.290	3.047	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2Cl)cc1	409270128	CLTYLLFLFGIEJP-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc(-c2ccccc2)on1	8849595	LGUCQNCFFRFNPV-UHFFFAOYSA-N	465.469	3.175	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C(=O)N(C(C)C)c4ccccc43)c2)cc1	9403836	XZQVSQYUIKGHGR-WNAAXNPUSA-N	492.557	3.385	50	40	JGGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1	9434203	YHTAWAIXNNYKCV-HXUWFJFHSA-N	473.489	3.134	50	40	JGGB	
Cn1/c(=N/NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2ccccc21	12599734	RMSOEISBYDMKIJ-PCCZYRSZSA-N	456.527	3.079	50	40	JGGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)o3)c(C)nc2c1	408835013	WPIMJCMNMNMVLP-MSXFZWOLSA-N	485.953	3.440	50	40	JGGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(C(F)(F)F)c1	1106770	XSLNNZQAVLZHBR-UVHMKAGCSA-N	458.440	3.283	50	40	JGGB	
N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1	2427446	MGLYSPBXHPHJLZ-NKAIQICCSA-N	495.333	3.451	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	3143781	YRVSRBGAPMVJBD-LDCYPDTQSA-N	491.507	3.403	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	6245606	ZZTQJVFALYROLL-ZXVVBBHZSA-N	478.618	3.445	50	40	JGGB	
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)C1	9075518	AXSRZJOPYJNEKA-ODAUKNCYSA-N	499.571	3.006	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O	9231878	QVIKWYWFBJUKKF-GZIVZEMBSA-N	460.206	3.271	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1	9374571	CIFCBPXNIVTVMD-LVSKKATPSA-N	476.558	3.067	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccc(Oc2ccccc2)cc1	20059716	ZUTIIUBSMZXKHG-BUVRLJJBSA-N	467.503	3.093	50	40	JGGB	
CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC	39986659	PPSCPTLIWWZMJY-IWIPYMOSSA-N	455.536	3.018	50	40	JGGB	
C#CCOC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1	200502695	AEFRDVDAQLIGSO-REWPJTCUSA-N	464.905	3.212	50	40	JGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1C	408829913	KWYMVYIQZOJJLZ-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)c2cc(Cl)ccc2OC)c1	9285332	HXWOVVSIAYFCRF-UHFFFAOYSA-N	485.031	3.319	50	40	JGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)n1	9502691	ZPGRQRUAGCIIOM-UHFFFAOYSA-N	474.546	3.352	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1OC	16215727	VVUKRABOPQGVMM-PCLIKHOPSA-N	489.594	3.186	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)c1	20210132	XIWWELFHJUIBDU-OVVQPSECSA-N	494.573	3.254	50	40	JGGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=S)NCCc3ccccc3)c2)cc1	23155732	PQCPDTOKZIGXGT-UHFFFAOYSA-N	468.604	3.147	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl	59246402	WFKQNKKRWXRKSW-WYMPLXKRSA-N	452.338	3.363	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\C(=O)Nc2ccc(C)cc21	716780	VJKOMOTXTUPZOL-UHFFFAOYSA-N	497.143	3.380	50	40	JGGB	
COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NNC(=O)CCl)cs3)n2)cc1	1415702	OIBDBVJARHRZPJ-UHFFFAOYSA-N	459.837	3.023	50	40	JGGB	
O=C(CCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-]	8756593	FOXWVENDRHUENW-DFEHQXHXSA-N	468.470	3.444	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OC	8811002	UDXDTVNAFHWKFL-SRZZPIQSSA-N	484.290	3.480	50	40	JGGB	
CCCn1nc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c2ccccc2c1=O	14246706	JJPAKUNPXNRLLD-UHFFFAOYSA-N	473.489	3.035	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12	20215042	RLUCFPRQSXRZQW-WSDLNYQXSA-N	460.899	3.318	50	40	JGGB	
CCc1ccc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	13130377	CZJHRUBCIXPGKX-UHFFFAOYSA-N	458.367	3.076	50	40	JGGB	
CC(C)(C)OC(=O)N[C@H](CCSSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)O	34215741	JXQOESIPFURHKL-VXGBXAGGSA-N	468.594	3.104	50	40	JGGB	in-vitro
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NC3CCCCC3)cc2)cc1	58873096	XYQGSMZLYUXRCC-QQXSKIMKSA-N	450.539	3.302	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)O	408792700	BLXYTTXKLVBDOI-WUXMJOGZSA-N	494.241	3.014	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)c(OC)c1	408883954	SIZMNBQPZOWWHJ-VIZOYTHASA-N	475.295	3.153	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1	408909915	IWUHTPMHERFJCN-CNRHGSOZSA-N	468.373	3.153	50	40	JGGB	
CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(N)=O)(c5ccccc54)[C@@H]3C2=O)cc1	9075605	JYTQCFBDNVXBDG-RIXVJTBSSA-N	480.524	3.290	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	9465001	GGABZLUVEYSIQV-AFUMVMLFSA-N	498.517	3.242	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccc3Cl)nnn2-c2nonc2N)cc1	9501484	WUTOFODLTXTWHA-DHRITJCHSA-N	480.916	3.496	50	40	JGGB	
O=C(NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1Cl	9591301	YPBPFFZRPADUHH-KSSFIOAISA-N	481.307	3.396	50	40	JGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(O)cc1O	9635918	SGLBGHBNCRQYNG-FBCYGCLPSA-N	490.095	3.027	50	40	JGGB	
COc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	14200385	DBSJOPVZPAWCCI-UHFFFAOYSA-N	473.938	3.153	50	40	JGGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNS(=O)(=O)c3ccc(F)cc3C)c2)c(C)c1	22841651	XJLYSMRGZPGZND-UHFFFAOYSA-N	491.566	3.175	50	40	JGGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	103753935	ZVWWOCPIOQSPJN-RGEXLXHISA-N	458.518	3.444	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409252642	CUSQRVYNADLIMG-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3cccc4ccccc34)nnn2-c2nonc2N)c1	9233529	ORHNNKUPTPVDAT-VULFUBBASA-N	468.477	3.215	50	40	JGGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NNC(=O)c3ccccc3)c2C)cc1	9466584	CCEHYLVZBPSRKM-PXLXIMEGSA-N	486.528	3.404	50	40	JGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccc(Br)cc1	58912334	YFMFKCQQXLIEHR-DHRITJCHSA-N	454.328	3.018	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCC(=O)OC	96860846	LMAQRTZBEFKRJR-MBTHVWNTSA-N	477.517	3.443	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(CC)cc1	408606717	AJJULIBLKOLAOS-VULFUBBASA-N	458.946	3.286	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1Cl	408667440	QRYRLTPWUYJDRV-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408788785	GZTHGALWWSWGQC-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)c(F)c1	408964731	DLFZPSBLFOOKTP-QPJQQBGISA-N	454.639	3.341	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1OCc1ccccc1	409116971	VVXOKMGMMZLZBT-CVKSISIWSA-N	485.537	3.330	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3C(=O)O)cc2)cc1	409133557	LJRIVLYNMJQTCC-BUVRLJJBSA-N	451.504	3.282	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)cc1	2365926	CCVKEXAGVXXXJG-KBKYJPHKSA-N	486.414	3.081	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	16216851	OMQWHFUZYUUFBT-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	19951660	BUIXNIZAGVIVCS-MFKUBSTISA-N	485.949	3.472	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1OC	20059661	QMEIDFJLDYQEKQ-PCLIKHOPSA-N	483.546	3.412	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1	20461333	YEYUPDMCMVSEAC-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	100958983	WPWLPVMDKRQMLK-HKJBKDEOSA-N	456.907	3.379	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1	409151383	AZOHHOIKRAXPMU-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3c(C)cccc3C)o2)c1	409151548	CETRHPSHYDXQFI-CCVNUDIWSA-N	477.517	3.385	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl	409156653	TVQFNWQIEKDZHP-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1	409170234	UGYNVCSKMGNUEV-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1	1846671	PEPZBKGBFSXRJG-UNYBTUAPSA-N	454.245	3.349	50	40	JGGB	
Cc1ccc(OCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)c([N+](=O)[O-])c1	2349837	YCHLTMNRBPBMEY-SOYKGTTHSA-N	458.474	3.392	50	40	JGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)cc1	9805416	ONFLTOGKSMAZPE-BUVRLJJBSA-N	462.344	3.344	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccc(C)cc1	12250241	PJLDAALXNLWTLT-RTWAWAEBSA-N	465.531	3.113	50	40	JGGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3cc4cc(C)ccc4nc3O)c(C)c(C#N)c2=O)cc1	409054853	OEMMBYDPHKPHLT-MUXKCCDJSA-N	466.501	3.301	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c1	409185969	UBCBFMCRWJONLB-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Br)cc1	409242742	YBBNZEXXBKIRFE-LGMDPLHJSA-N	470.323	3.232	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cccc(Cl)c1C	409255312	HFJHMUINUFVRSG-WEPAEKJRSA-N	488.972	3.429	50	40	JGGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc2c(c1)OCO2	1001874	VRRLPPACFCNTMZ-WYMPLXKRSA-N	450.524	3.047	50	40	JGGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1	3469785	WYSTVAYKFQZUFW-XIEYBQDHSA-N	465.531	3.264	50	40	JGGB	
O=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1	9404157	VONGFFDZKXQBKZ-UHFFFAOYSA-N	462.380	3.304	50	40	JGGB	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1	9635010	WNHGCAOIFPXSHJ-HNNXBMFYSA-N	453.495	3.040	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1	19949882	OJTDWCSSLVAFMA-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C\c1cccc(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33621702	XLJWHIKFLCENHR-WZRHPCBOSA-N	459.893	3.198	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)c(OC)c1	34898016	DWDSARKKUUIJFO-KEBDBYFISA-N	470.263	3.090	50	40	JGGB	
O=C(COc1ccccc1)N/N=C\c1cc(Br)cc(I)c1O	67197121	YRLAFEHFLYDPMM-LSCVHKIXSA-N	475.080	3.288	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O	408766370	CPUOFRUYSBQWKB-FSJBWODESA-N	461.927	3.124	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)c1	408781106	AFUXVXZBDAPYEH-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)cc2O)c(Br)c1	1437573	GOSILCXKOKEHTJ-FBCYGCLPSA-N	474.105	3.161	50	40	JGGB	
CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cnccn3)c2)cc1	11362066	IPIPHCRPGNBXBO-UHFFFAOYSA-N	467.551	3.003	50	40	JGGB	
CSc1nc2nc(C)c(CCC(=O)NNC(=O)c3cc4c(s3)CCCCC4)c(C)n2n1	21971010	ZAMKRWZGOVYLDY-UHFFFAOYSA-N	458.613	3.187	50	40	JGGB	
CC1(C)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Br)[C@@H]2[S@@]1=O	34264986	MHQYJIDSSLKVOK-HDIGNRRISA-N	462.365	3.161	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1	408877042	SOJNSOSWYMGHJP-WPWMEQJKSA-N	492.557	3.252	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccccc2)o1	409161681	ADWJYERUWNIYJU-CBFMJHRQSA-N	450.451	3.197	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCC(=O)OC	409187973	DWACYWCKPACMDZ-ZSOIEALJSA-N	498.317	3.207	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1O	1089214	AASBOHFCBXXDNG-UFFVCSGVSA-N	474.271	3.080	50	40	JGGB	
CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1	8427248	FYOGNADCOHPXCH-BIKZULFDSA-N	496.524	3.352	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)s3)nnn2-c2nonc2N)cc1	9191305	OLGXYKGDVXHJDK-LSHDLFTRSA-N	472.918	3.167	50	40	JGGB	
Cc1ccccc1N(CC(=O)NNC(=O)CSc1cc(Cl)ccc1Cl)S(C)(=O)=O	12671129	BKKQMRAYXQULNN-UHFFFAOYSA-N	476.407	3.008	50	40	JGGB	
O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)s1	15822101	XTCQQVTUANVJAZ-GOSISDBHSA-N	491.541	3.308	50	40	JGGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccco1	20170657	QKUDWFIFFNRUQT-OAQYLSRUSA-N	498.517	3.445	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C\c1cccc(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33621701	XLJWHIKFLCENHR-IDEIYSCTSA-N	459.893	3.198	50	40	JGGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	36379996	HDWFUMKKMNGEDS-HYDQUENASA-N	492.410	3.128	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc2ccccc12	408537786	XGADKNFUXNJQOJ-SZMVHAFZSA-N	479.290	3.217	50	40	JGGB	
O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408676683	BDQFFXGNVNUXNU-QMROVXIMSA-N	476.348	3.029	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1O	409120977	XMVIPNVLHXIECT-MFKUBSTISA-N	477.558	3.404	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1O	409138171	YMUHTGFIUKQWRZ-BUVRLJJBSA-N	453.520	3.298	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1	409150263	BARQUJXZTRFBCW-LGJNPRDNSA-N	458.946	3.341	50	40	JGGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1	409240590	QPRMRUSBBMMHEH-ZVBGSRNCSA-N	481.372	3.040	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1	409264003	JZPOPPNARRXXMJ-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409272458	YXATUVCSAUSGOU-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1	951122	QTHOYIWXUQPIHI-RBNQXFGJSA-N	462.458	3.001	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1Br	8843181	MSBRBEJEZRPDNS-WSDLNYQXSA-N	476.352	3.224	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O	13151645	GRPDYFNYAAZTNC-WGOQTCKBSA-N	499.976	3.422	50	40	JGGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1cccc(I)c1	19955439	GMKMQFAZTCQYMN-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
COC(=O)C1=C(C)NC(CBr)=C(C(=O)OCCCl)[C@H]1c1cccc([N+](=O)[O-])c1	68605205	NJQFKBFAFPOGAP-HNNXBMFYSA-N	473.707	3.160	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	408999551	UWFJCPSWXRCHHV-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
O=C(COc1cccc(F)c1)N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1	2632829	WAZUNNAZIWYXHY-MZJWZYIUSA-N	495.492	3.206	50	40	JGGB	
CN1C(=C(C#N)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)N(C)c2ccccc21	2645841	YISIKURNQDXOTO-UHFFFAOYSA-N	477.524	3.372	50	40	JGGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1Br	3207745	OCILZHLTYSSANW-UFFVCSGVSA-N	474.271	3.086	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1	14921510	XODHCBOHZZEEHA-LGJNPRDNSA-N	458.902	3.285	50	40	JGGB	
O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408680825	GZVDYJZGXYPDAZ-QMROVXIMSA-N	461.356	3.212	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(OCC)c1O	408998651	NGKLNEHGTQWXRN-OFGWUUMASA-N	491.548	3.230	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(I)c1O	409168397	MBLUUXXNFJLQQL-AWQFTUOYSA-N	487.681	3.138	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2)cc1	1949343	IQINUCAQBSZJFD-UDWIEESQSA-N	451.264	3.169	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)c(C)c1	9329216	LRSFVLPHKGKPRB-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cc3ccccc3Cl)cc2)cc1	13141258	NTWAXPJUIGQVLE-UHFFFAOYSA-N	485.993	3.473	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Br)cc3)CC2)cc1	58951809	XIRGMZWXUHICRF-HYARGMPZSA-N	464.385	3.309	50	40	JGGB	
COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1	408686611	SDPPZUVAOJUAGU-YEYGNOCGSA-N	485.334	3.457	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc(OC)c1OC	409000546	YQSITFCXXKGIIS-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1	409064935	RCGQTAGSOLLBDE-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
C#CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409250121	PQRQVZPCKDHISX-UUYOSTAYSA-N	466.250	3.144	50	40	JGGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(N)=O	409252120	SSOILCMXVKYWAW-AWNIVKPZSA-N	479.230	3.136	50	40	JGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(I)cc2)cc1OC	9056940	BLFJUXVDJLXEBV-WSDLNYQXSA-N	481.290	3.443	50	40	JGGB	
CCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc21	12374248	ZGAIPMMHRAGCKK-SZXQPVLSSA-N	457.515	3.012	50	40	JGGB	
Cc1ccc(SCC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1C	12985266	RZUZCSLCRAZZBV-UHFFFAOYSA-N	483.615	3.335	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1	13006086	YWQMQEFDOUTLIX-UHFFFAOYSA-N	486.937	3.174	50	40	JGGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1	16693380	FVNGMGIEKWEUOB-KOEQRZSOSA-N	451.548	3.427	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1	19950591	BFRJXNUYAYUBNV-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408775144	OJWVCIBISFSZBA-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
C[C@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O	408922757	SBHMBMGTWFULPN-UPMNJHNBSA-N	465.531	3.211	50	40	JGGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	409008811	JITRSAYOBFPOTC-ZVHZXABRSA-N	470.482	3.075	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1	409268519	UZPLPDFCAINLMX-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)c(OC)c1	2700180	YONFLZZITDTVND-HSZRJFAPSA-N	473.485	3.169	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCCCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100771208	XPEVAAIZVBFUGG-OLSVXVEHSA-N	497.585	3.279	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1	408647482	TYARUGVVZRECBN-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794436	JDQDFZALHNYGFS-WUXMJOGZSA-N	493.213	3.208	50	40	JGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)cc2)S(C)(=O)=O)cc1	409330814	MDDIPHTUDNNREC-WNAAXNPUSA-N	476.558	3.072	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCC	409361340	RGWGPWBFFJCLGU-RHLNUJDMSA-N	468.291	3.272	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(O)cc1O	1435012	DOZPACWQFBKQBG-FBCYGCLPSA-N	474.105	3.161	50	40	JGGB	
N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	8974015	BYAVWTDPLZBXML-JLHYYAGUSA-N	495.498	3.449	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1	20764709	DKJHXCACCMGMCX-UFFVCSGVSA-N	451.273	3.084	50	40	JGGB	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)c(C)cc1=O	39996849	AYIFVBVXHPHAEI-MRXNPFEDSA-N	454.914	3.040	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1OC	59515607	ANLSRDMRJAUWSF-OGLMXYFKSA-N	461.518	3.092	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	245239270	HAHWMQFIDWVHBU-MJPWJRROSA-N	453.580	3.055	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1	408612706	XFLQNOOXMKUFRF-WUERFNLMSA-N	459.930	3.063	50	40	JGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-]	408887743	SVTRRVGPXNGLNE-LPYMAVHISA-N	484.446	3.343	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1	409128009	HHHCFVLJLOKGQD-MFKUBSTISA-N	472.954	3.479	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1	409271020	JJSJDVVOKKZVKK-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc21	409346988	PFZUONOSJDWCOS-XTCLZLMSSA-N	482.949	3.032	50	40	JGGB	
O=P(O)(OC[C@@H](Br)CBr)OC[C@@H](Br)CBr	1666666	CBPKIOGAUWKEFT-WDSKDSINSA-N	497.740	3.437	50	40	JGGB	in-vitro
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCBr	8916207	BMLYFEUMIRRFQG-WJDWOHSUSA-N	459.296	3.444	50	40	JGGB	
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(COc2ccccc2)cc1	10109351	AWTXUUBIDZEAHN-QHCPKHFHSA-N	499.564	3.169	50	40	JGGB	
CCn1c(NNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc2c1=O	10323659	FGAGEPRTJOYYEX-OAHLLOKOSA-N	450.499	3.318	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1OC	15134847	HKKYJMMXAYJWBG-RGVLZGJSSA-N	452.261	3.294	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19949774	HPYXBZHAPVWIJB-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1O	20059293	YKURERFKCKPPLY-BUVRLJJBSA-N	453.520	3.131	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1C	20208613	CKZHSKJLNDSBHB-WSDLNYQXSA-N	481.416	3.048	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1	20214740	CWLDUZSPBONWDY-FVQJWRHTSA-N	486.506	3.168	50	40	JGGB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)cc(OC)c1	103918345	WGUAOVDYYUZVNQ-JCMHNJIXSA-N	452.511	3.424	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1C	408923007	DMCMDHYDEPESHU-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409168675	OBIQOMWZCFUFAR-UVHMKAGCSA-N	488.972	3.287	50	40	JGGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1	1106597	PGXCUKHPAZJKAO-AWQFTUOYSA-N	494.147	3.024	50	40	JGGB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2)c1	2618255	NUTJFWZPCKRNIL-UHFFFAOYSA-N	457.939	3.236	50	40	JGGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1	2694752	GVGWGTJKYIRAGN-OAHLLOKOSA-N	453.520	3.423	50	40	JGGB	
COc1ccc(NC(=S)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	3308129	BVIOPHRKAPNJJF-UHFFFAOYSA-N	462.578	3.189	50	40	JGGB	
C[C@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12	15319869	JLZLWNGCXISZCS-QQZVNYBESA-N	488.769	3.074	50	40	JGGB	
C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N	33415204	WSEDCAHZPQJHKQ-COXSBDCDSA-N	485.552	3.038	50	40	JGGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1	104800226	AASQFKQXBVJXQX-PTNGSMBKSA-N	459.325	3.218	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(C)cc1	408860447	VVHHHRKWRUDSLM-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1	408868675	APNWUUAHCUEMFS-VUTHCHCSSA-N	486.572	3.325	50	40	JGGB	
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408964012	BDBGADCOMGUQAQ-WKIKZPBSSA-N	478.496	3.453	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)c(C)c(C#N)c2=O)cc1Cl	409070608	CRFIUHAHOYQYMG-MYKKPKGFSA-N	450.842	3.047	50	40	JGGB	
COc1ccc(CC(=O)N[C@@H](C)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1	409152027	ITAHNICIMGXPEM-MMDHUZEPSA-N	464.478	3.369	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8450443	BYHKXPXLTQZIGZ-WVWKGNOCSA-N	479.537	3.041	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8811140	PKCRVGBJDGHLBQ-FOKLQQMPSA-N	495.326	3.181	50	40	JGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O	12912719	ZSHLKTXEIMZIGE-UHFFFAOYSA-N	479.842	3.414	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(O)c1	20065590	LRCPVVBBHXXHMW-WGOQTCKBSA-N	458.006	3.160	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1	58853450	GZOCALKZIRYRNP-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	59443871	XWULXEJTAPONFM-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
Cc1cc[n+]([C@@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)C2CC2)cc1	100838075	YRMQUXKRACSHCV-JRFVFWCSSA-N	474.362	3.471	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	408857088	JMACKQCXNPDVCB-DHRITJCHSA-N	460.506	3.289	50	40	JGGB	
Cc1cc(NNC(=O)COc2ccc(Cl)cc2Cl)nc(NS(=O)(=O)c2ccccc2)n1	857346	GKYLCEKWEDVINO-UHFFFAOYSA-N	482.349	3.415	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O	20207519	OJCVIRSPUQRYIZ-PCLIKHOPSA-N	451.548	3.490	50	40	JGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br	408748350	CFNLYRGUZGYHON-UFWORHAWSA-N	456.090	3.439	50	40	JGGB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OC(C)=O	409281644	NPFVZCKMZUDHFB-UHFFFAOYSA-N	459.256	3.437	50	40	JGGB	
CCN(CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	8733486	FCSRRFIDXMPLRK-QFIPXVFZSA-N	475.501	3.267	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C/C=C/c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	9065236	LOLLBPPCWUFRJZ-TWPIFRJPSA-N	451.486	3.210	50	40	JGGB	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	9167421	KEQTVCQROIOVML-HXUWFJFHSA-N	461.547	3.108	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)Cc2ccccc2)c1	34896671	JUJMZXSMKVJGFH-UCQKPKSFSA-N	473.576	3.107	50	40	JGGB	
O=C(NCCNC(=O)C(Cl)Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	100913712	UKTQSOGJCMLDIW-UHFFFAOYSA-N	471.181	3.219	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccccc1	408648020	WPNPGPDVMLXDQH-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCC(=O)O	408872316	CXEIZYABJHADQT-FRKPEAEDSA-N	474.897	3.443	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1	408922970	DDNMEYYLGMCABS-WTJYETQFSA-N	455.536	3.249	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(C)C	408985161	ABBIIESELQXUQT-JGMDMLBRSA-N	493.564	3.441	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccccc2)cc1	409186281	ZXXQVLPGHKSDOW-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]	1905014	HURLKLLCJIAKBB-RNIAWFEPSA-N	460.406	3.031	50	40	JGGB	
ICCN(CCI)Cc1ccc2c(c1)OCO2	4803417	BIDGJUURCUPKHB-UHFFFAOYSA-N	459.065	3.087	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1	9291281	RBKMKDGXLLBYQG-YOYPMJMESA-N	480.517	3.184	50	40	JGGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)cc1OC	9487301	LZROBZFLZKKAKW-FLFQWRMESA-N	466.497	3.445	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\CC)c3ccccc3)nnn2-c2nonc2N)cc1	9501867	KDYKBULMHFWZAQ-XIEYBQDHSA-N	460.498	3.232	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	36216332	SVPSMKWXLGOKGP-GQCQHCLGSA-N	491.479	3.427	50	40	JGGB	
COc1cc(C(=O)Nc2ccc(Cl)cc2[C@@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC	58984544	YKDIHUDPDBNQTA-QHCPKHFHSA-N	498.967	3.287	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1	100957321	ISYIGUFCWSCVRK-NGWPFTMJSA-N	456.907	3.379	50	40	JGGB	
O=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408682167	JCGFEGKQBYDRFA-YRYYUTHUSA-N	469.335	3.126	50	40	JGGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc(Br)cc(Br)c1O	408974447	ZYBKZQOEIJZCDF-BMZJSHLCSA-N	495.171	3.383	50	40	JGGB	
CCOC(=O)C1=C(C)N(c2nonc2NC(C)=O)C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	1083980	XZYGOXAWTVKAFF-MRXNPFEDSA-N	477.308	3.470	50	40	JGGB	
COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CCN4CCCCl)C2=O)cc1OC	2394756	GRDUPJBTOCLGCV-HMMYKYKNSA-N	497.979	3.400	50	40	JGGB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3C)C2=O)cc1	8819125	ILMGIGKFEJWEOZ-PDGQHHTCSA-N	455.561	3.056	50	40	JGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)ccc21	9283207	OZAXJGPDOYNMDA-UHFFFAOYSA-N	466.501	3.139	50	40	JGGB	
Cc1csc(CC(=O)NNC(=O)[C@H](C)SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1	12599355	PWIRSONSIGRMOJ-ZDUSSCGKSA-N	499.643	3.428	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O	20207546	LWYKIFDWWQWDEK-MFKUBSTISA-N	496.545	3.399	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)c(C)c1	20208042	HPCXNUNJKMLJOX-WSDLNYQXSA-N	481.416	3.048	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1	915499	STXLCFNKWKZBOU-UHFFFAOYSA-N	460.357	3.106	50	40	JGGB	
Cn1c(=O)n(CCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c2ccccc21	9113562	TUDPWIVLGMOGMM-UHFFFAOYSA-N	478.936	3.424	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1O	20060576	LBUTYMQFPOQKMX-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
CCCCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2cc(Br)ccc21	100175929	RGUXUZMFLUFYIW-KYLWWAFNSA-N	458.312	3.256	50	40	JGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1	408730886	JXHUMYGPCLWPEQ-FOKLQQMPSA-N	452.927	3.926	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1	409254462	XLCRCSLEGRSUSY-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
O=C(N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21)c1ccc(NS(=O)(=O)c2cccs2)cc1	12528678	JWPONUTXEHTZQT-UHFFFAOYSA-N	471.476	3.193	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccccc1	18194693	FHAYHBYXZQTRJD-XIEYBQDHSA-N	467.547	3.445	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	19816749	YWSLBORHQHHTFF-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	20213697	IDJXAZQDRXGQRO-PCLIKHOPSA-N	452.536	3.216	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC	30725427	CROJJDUXAADNBQ-ZMFRSBBQSA-N	478.457	3.424	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C(=O)c3ccccc3)C(N)=C(C#N)[C@H]2c2ccccc2)cc1	36081561	SIJCYZNRYOOKHD-JWQCQUIFSA-N	486.553	3.378	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	59427938	BFNLMQZWGGZLSA-OVVQPSECSA-N	495.601	3.396	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccc2ccccc12	408537565	WHLWNKXSSYFXJL-WAOIHUCGSA-N	468.391	3.473	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1	409015858	OYPUDXURPBSANJ-HMHIXTCJSA-N	459.930	3.187	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2OC)cc1	409026861	AYONUZOPNVHDJQ-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
C[C@H](NC(=O)COc1ccccc1Cl)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409163789	XVVTYTILRHCUDS-DSKMXOTJSA-N	469.881	3.332	50	40	JGGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C3\C(=O)Nc4ccccc43)nnc2-c2cccnc2)cc1	1474647	XWQKICLNYCHEHJ-UHFFFAOYSA-N	499.556	3.293	50	40	JGGB	
O=C(CCCCCNC(=O)c1ccccc1Br)NN[C@@H]1C(=O)Nc2ccccc21	2696037	UQUUATCGBYRDHH-IBGZPJMESA-N	459.344	3.054	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc(OC)c1O	3238135	XPLMPFFMVWODRO-CIAFOILYSA-N	461.521	3.036	50	40	JGGB	
CCCc1n[nH]c2c1[C@@H](c1ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(CCC)c43)cc1)C(C#N)=C(N)O2	8857369	UVTKXANCHDAHKD-PMACEKPBSA-N	482.548	3.474	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1CSc1ncccn1	9630470	MRHKXNRBCAEBAN-YYHBXHNPSA-N	450.520	3.458	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC	12590316	CQCNYGSKLHVATJ-VZUCSPMQSA-N	495.229	3.468	50	40	JGGB	
COc1ccc(CC(=O)NNC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc1	15021794	PCFZXELMPYXULJ-UHFFFAOYSA-N	486.619	3.134	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)S(C)(=O)=O)cc1	19937072	JEAOIMSNYDDVES-YDZHTSKRSA-N	460.943	3.203	50	40	JGGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc(Cl)s1	25783884	UTMROWBVKQIBKF-MSXFZWOLSA-N	497.972	3.054	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	408764472	XAIXNZXLOCNNSV-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	408872282	CLGOUXHGUHZWRB-HUXSYLCKSA-N	493.029	3.498	50	40	JGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1	409329335	DXOUCOYNMYJIIU-UHFFFAOYSA-N	482.528	3.240	50	40	JGGB	
O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)COc1ccccc1-c1ccccc1	3374871	MBUFNOGBQBIVTF-UHFFFAOYSA-N	451.910	3.353	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	8384197	GLNHMELLESMZIN-XGTYDZQNSA-N	477.583	3.188	50	40	JGGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	9715168	AMQIYFYYTLNHOK-UHFFFAOYSA-N	497.335	3.358	50	40	JGGB	
O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1	9884960	BVXMVKGLAHXUPE-UHFFFAOYSA-N	474.542	3.031	50	40	JGGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)nnn2-c2nonc2N)c1	13788054	ULQKVDYYHKVEOQ-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cccc(Br)c1	20209825	VISKEDKAGVPWEG-AWQFTUOYSA-N	462.728	3.158	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1	408608531	HMHOEDDLCQYJRT-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408789028	IESNZNNEONEJDX-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cccc(Br)c2)cc1	408826595	HJOSEYGOUMIRRA-ZVHZXABRSA-N	487.379	3.498	50	40	JGGB	
COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(C)cc2)cc(OC)c1OC	409003047	QWRINXPUOQDFBR-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
O=C(CNC(=O)c1ccco1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	1307041	XISJEMUFNILFOQ-OOAXWGSJSA-N	471.300	3.384	50	40	JGGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1	27083471	CHRWXLCCUQTAGN-CQSZACIVSA-N	458.515	3.361	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(I)c1	59502252	YTIBRXADXIJSRJ-REZTVBANSA-N	490.051	3.431	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1	59516170	KAHVYYMPBGGCIG-BUVRLJJBSA-N	466.519	3.244	50	40	JGGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(N)=O)c(OC)c2)cc1OC	408582374	NGYZONHAUSWZNM-MKMNVTDBSA-N	494.285	3.245	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(C)(=O)=O	408770733	BPGJGVCFATWHOW-KGENOOAVSA-N	468.373	3.154	50	40	JGGB	
COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)/C=C/c2ccccc2)cc(OC)c1OC	409001373	IBJPBKCADYJPDF-BUHFOSPRSA-N	475.501	3.439	50	40	JGGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1	11995050	JKVCBWGHMMQHMR-NBVRZTHBSA-N	454.577	3.087	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC	16195184	HAUHXNHOYZGVIT-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(Br)c3)CC2)cc1	20368215	SHZPRLACFAILGA-HYARGMPZSA-N	464.385	3.309	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)cc1	408768037	BIZYQOFLGXTPJB-MSXFZWOLSA-N	488.953	3.117	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)ccc1OCc1ccccc1	408866024	FKEKOPMYTMPICO-CVKSISIWSA-N	485.537	3.330	50	40	JGGB	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1	9119360	GPEGESDMVMOMEW-UHFFFAOYSA-N	498.524	3.014	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	9329205	BPMCCUREFHQSER-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20209868	OALRMCXZWQKXBX-OQKWZONESA-N	498.399	3.163	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1	20232788	KDOPULYYLCYJCI-PCLIKHOPSA-N	465.531	3.188	50	40	JGGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1OC	38168401	VSGCTAZOSXJTBU-VULFUBBASA-N	489.488	3.408	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccccc2)cc1	59443653	AKUCZDJQNZMPMU-CVKSISIWSA-N	482.537	3.125	50	40	JGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409110834	HAWUNKMVSZJSDN-WGOQTCKBSA-N	495.557	3.136	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1O	409146822	UTVDRKBMNWGIBC-CNHKJKLMSA-N	491.079	3.237	50	40	JGGB	
Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1	409155424	IQNKDLCWDHDLCP-RPPGKUMJSA-N	464.478	3.425	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1	409269438	JONPDHGQTMMBPH-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)NNC(=O)c1n[nH]c(=O)c2ccccc12	10468195	IDTRYSXQPMRMOI-GOSISDBHSA-N	472.530	3.242	50	40	JGGB	
COc1ccc(-c2cc(C(=O)N/N=C/[C@@H]3C(=O)Nc4ccc(Br)cc43)[nH]n2)cc1	100931410	ZVONVMGUGHNKEL-GTQIFZCBSA-N	454.284	3.299	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OCC)c1O	408870493	FMPLXCMGYLEDFS-PXMCARDJSA-N	491.997	3.476	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc(O)cc1	409096657	KURCKDBIZDYVJY-REZTVBANSA-N	461.053	3.229	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OCC)c1	409163060	LIQLLKQWUOCUDP-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc(Br)cc1	8820331	TUTGNNIOGRLHNZ-RVDMUPIBSA-N	494.392	3.485	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc([N+](=O)[O-])ccc1O	9028334	JRPUCTWDXFFIBZ-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccncc2)ccc1Cl	15273284	XYWUVXYAWOZGNM-UHFFFAOYSA-N	470.938	3.191	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1	20210241	CGFVISHKIXGIAS-PCLIKHOPSA-N	467.547	3.191	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1Cl	33654445	GWIUHYSGZJVKJU-NKVSQWTQSA-N	464.758	3.426	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59443970	NOHVVPQRWSMTFS-ZXVVBBHZSA-N	495.601	3.478	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1Cl	408643652	BCHNNFRJOKZHBR-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(OC)c1	408785837	ZVHYOCVAJGSPRV-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c1	408786097	LXQOWMVQACPPQP-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
O=C(N/N=C\c1cc(I)c(O)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904180	FYXPEHSJEHIMEP-WSVATBPTSA-N	496.173	3.323	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(C)(=O)=O	408922463	BBOZAJZEOCEJKW-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1	409268939	ZYBUUVHQLRXIOX-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)OCCO2	1437601	UMKNPNBSLAMVPB-UFWORHAWSA-N	456.090	3.452	50	40	JGGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770429	YIMFZXBGLUBLDI-AZUAARDMSA-N	492.532	3.283	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	8812602	UJMRVWPVOGLVIE-LSFURLLWSA-N	485.718	3.435	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1OC	16228175	BVXLXIOFDSKKTH-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1	19926404	PUGIDTLFXDLLQP-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc(OC)c1OC	409016665	RDGOWNNXDVIWHF-SODVTCOWSA-N	485.581	3.389	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1	8918866	ZVWVLRCLVZZDAF-UHFFFAOYSA-N	471.520	3.219	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1cccc(F)c1	9233138	YTJWTVRSOIHBOK-LGJNPRDNSA-N	452.417	3.071	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1Cl	12508039	OJPCDAXMCHOVLL-UHFFFAOYSA-N	459.911	3.224	50	40	JGGB	
C/C(COc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1	13787969	YADNKOFIUGKXPN-BUVRLJJBSA-N	478.538	3.018	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)cc1OC	33375467	GTBJSBFADZRPKI-NVNXTCNLSA-N	461.312	3.446	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(C(=O)O)o1	34737502	ITWDLDRPPMXEIX-AUEPDCJTSA-N	470.507	3.215	50	40	JGGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)NCc3ccco3)c2C)cc1	40161893	PCFSXAGXDJAWBI-UNOMPAQXSA-N	476.489	3.172	50	40	JGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc(Br)cc2)s1	408731066	KFOPXBCMXMEZNN-FOKLQQMPSA-N	497.378	4.035	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	408862825	MRFODKLVIDZQRF-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1	409169379	PWOZIHICQYTCDB-MUFRIFMGSA-N	492.507	3.008	50	40	JGGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F)NCc1ccccc1	409255913	LWNWMAAHSBXHFP-CCVNUDIWSA-N	482.899	3.263	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)c1	409259422	ZJKBRSTWTHXESF-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	958318	LJCFLJIECDBTRB-KRUMMXJUSA-N	497.580	3.404	50	40	JGGB	
C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(I)o1	2121889	VPPWHFWDGYLTIL-YSRRJJCPSA-N	491.285	3.071	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(O)c1	2252271	RXFZTENYYPQMSB-LFIBNONCSA-N	461.952	3.098	50	40	JGGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(CNC(=O)C(=O)Nc4ccc(C)c(C)c4)o3)c(C)nc2c1	8683375	RDGXYIQKWVNBSC-CCVNUDIWSA-N	486.532	3.180	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1OC	8819419	NAOLCKXNWGQFQG-MFOYZWKCSA-N	491.978	3.020	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1	9101790	LQSLJDCUGJURHU-OAHLLOKOSA-N	473.002	3.405	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1O	16228137	OAXCQUAXVKWLTQ-BUVRLJJBSA-N	453.520	3.131	50	40	JGGB	
CC(=O)Nc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1	59953628	RGJLAMIUGYLHRA-PCLIKHOPSA-N	464.547	3.375	50	40	JGGB	
CCN1C(=O)/C(=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	103462134	FZQHSHHFJRXELG-JQWHWPPUSA-N	463.563	3.031	50	40	JGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	408567752	GIMUFKFYBXYHAZ-DJKKODMXSA-N	464.481	3.216	50	40	JGGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I	408777295	XPETYGJEOGGJIQ-SDQBBNPISA-N	473.108	3.497	50	40	JGGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNS(=O)(=O)c1ccc(Cl)cc1	8722093	OUNRGOCORACNQK-UHFFFAOYSA-N	450.731	3.375	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1	9308048	YJRSNBXLIRVBFS-MFKUBSTISA-N	492.565	3.386	50	40	JGGB	
Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc2c1	9381884	PZOSAFQAHVHONE-HOTGVXAUSA-N	474.608	3.468	50	40	JGGB	
O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N/N=C/c1ccc(Cl)cc1Cl	11667588	RTKKZYDTIXYTGY-DHRITJCHSA-N	497.404	3.048	50	40	JGGB	
COCCNC(=O)/C(C#N)=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O	13648531	LRMUQIVUZLGLSF-PTGBLXJZSA-N	485.588	3.132	50	40	JGGB	
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)Cc1cccn1C	20168666	WDPCWDOAACXQDY-UHFFFAOYSA-N	456.593	3.414	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1	28215005	OWTSJMPEDKZUDB-XHEHIBSSSA-N	461.474	3.003	50	40	JGGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	40852809	MGRWFNWMWXMCRW-CNHKJKLMSA-N	473.077	3.355	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1	58881140	AZLQXRHQCAFXMF-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408612752	YPJAIOGZRWIBSN-FOKLQQMPSA-N	450.720	3.434	50	40	JGGB	
COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)cc1	408683299	LCADLTCPSWNXIC-YRYYUTHUSA-N	485.334	3.457	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1	408779086	QSBXIWBXGXTILJ-PCLIKHOPSA-N	465.531	3.293	50	40	JGGB	
COc1cc(/C=N\NC(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)O	408907701	OWUZZHYCIGJPOZ-UKWGHVSLSA-N	483.262	3.227	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccccc2F)cc1	409007736	ZFGDOLNIFJXVMF-AFUMVMLFSA-N	455.511	3.181	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cc([N+](=O)[O-])ccc1O	409055563	JGAHUQGDBJIHJK-YAXRCOADSA-N	475.049	3.001	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1	409157314	ILDYJPASUAWEHQ-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
Cn1cc(Br)c(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n1	1089228	OUUWPKMWRHVCHV-AYSLTRBKSA-N	480.942	3.177	50	40	JGGB	
CCc1cc2c(=O)n(CC(=O)N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)cnc2s1	1784466	PKUPCGFCAWECNL-SLMZUGIISA-N	471.542	3.088	50	40	JGGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1	9535168	CTJNDOSEVWNNFJ-SFHVURJKSA-N	489.960	3.470	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(C)(=O)=O	13943562	JXCZCTCDBUJHGL-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
Cc1ccc(Cn2cc(NC(=S)NNC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cn2)cc1	22710744	LCOZQITWAFUPKE-UHFFFAOYSA-N	474.594	3.339	50	40	JGGB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	29084706	HDISLSMATFFEQI-KRWDZBQOSA-N	463.556	3.266	50	40	JGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cccc(Br)c1	58914292	XQBVGKDCFQEDHJ-WGARJPEWSA-N	468.355	3.408	50	40	JGGB	
CC(C)C[C@H](C(=O)OC(C)C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	101904453	AUHOSLFGHNGOHL-FDIVEBMXSA-N	479.209	3.131	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)=O	408756757	XBWJSNVQAPZZOK-KEBDBYFISA-N	450.245	3.445	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408788822	HZPCIUGHAMHRMJ-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(OC)c2)cc1	408789444	JHHLCEVEOWHXAE-NTUHNPAUSA-N	478.242	3.338	50	40	JGGB	
CNC(=O)/C(C#N)=C1/S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1	2213594	NNLZUFZWKIDOBD-GFXBCDTMSA-N	485.363	3.407	50	40	JGGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	2325550	YCZCWESFSYFRFL-FSRJSHLRSA-N	479.540	3.106	50	40	JGGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2N)cc1OC	4106480	XUASCANCBVUTTJ-SRZZPIQSSA-N	453.280	3.435	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O	6166419	PBQKWNLPRXQBRO-VJSRVVRJSA-N	454.552	3.398	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccc(O)cc1	9328917	FHAASODYXFWVDF-FOKLQQMPSA-N	484.929	3.038	50	40	JGGB	
N#C/C(=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1	13647975	NRUYWZSWQBWVSY-FCDQGJHFSA-N	496.615	3.373	50	40	JGGB	
COc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)c3csc(N)c3c2=O)cc1	16217540	KIDMIIFBXWVQAG-YSURURNPSA-N	453.911	3.455	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	58916391	QJFICFFBVXFFBJ-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1	83331269	PSLMZNUBCMILAP-XYGWBWBKSA-N	471.966	3.429	50	40	JGGB	
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	102302987	ROIRNLRPDNCXBI-IAGOWNOFSA-N	488.931	3.267	50	40	JGGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)NNC(=O)c1ccc(Cl)cc1	408672827	XFZGMALOICWSGR-LBPRGKRZSA-N	484.723	3.004	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1C	409156892	PIEMYUZIWHTMPB-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1OC	409325463	YVIJTVYCZGLVDQ-KSEXSDGBSA-N	495.326	3.482	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	1052595	LTYPMLBTFIGOAG-AFUMVMLFSA-N	479.445	3.360	50	40	JGGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)/C(=C\c1cccs1)NC(=O)c1ccccc1	1861798	AVZDZMHWVZLNQC-LHDDCWEUSA-N	464.459	3.306	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)c1-c1ccccc1	2332231	PYXNMUYDYYFCKB-CCVNUDIWSA-N	498.478	3.382	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	58880902	ORKOTTDUHQBIBO-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(C)cc1	59472765	SWWDZLMRNZDSJA-AFUMVMLFSA-N	472.954	3.398	50	40	JGGB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	101912509	QUXJVDNTSOQQFK-CTTWBBHYSA-N	471.145	3.146	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)CC1	408973031	XQNPLHIZBHKHIH-OGLMXYFKSA-N	477.540	3.041	50	40	JGGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)cc(Br)c1O	408974665	GJZRXNLPQHZUDY-FBCYGCLPSA-N	456.090	3.339	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)cc1	409161014	SIAFGGOYBHATDO-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1	409271218	KQYPMLKRUFQWGQ-SRZZPIQSSA-N	450.289	3.041	50	40	JGGB	
CCN(CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	1026232	FCSRRFIDXMPLRK-JOCHJYFZSA-N	475.501	3.267	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1	2082981	IKTDMTTUDKIFPX-FQEVSTJZSA-N	471.429	3.173	50	40	JGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1	2257735	DLPZMLHEIXBCKJ-HSZRJFAPSA-N	459.502	3.449	50	40	JGGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8762056	YCUPYGNYTAKIOU-VUGKGXCBSA-N	490.482	3.286	50	40	JGGB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(Br)cc1	8820239	FHQVQXKYXYEUKV-MDWZMJQESA-N	482.406	3.173	50	40	JGGB	
O=C(CNC(=O)c1ccccc1O)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	8919366	IOFBTZFWDWQCMY-IADYIPOJSA-N	497.338	3.496	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	9720650	ZVRZSDOVENESEY-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])c(OC)c1	9905867	GNDOGAAMLWCOFU-RGVLZGJSSA-N	452.261	3.294	50	40	JGGB	
CCCCn1c(=O)c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(O)c2ccccc21	100176015	CWGSZNVFLAYRLD-AFUMVMLFSA-N	453.495	3.297	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OCC	408871229	YLTMHTJXURBTHI-BUVRLJJBSA-N	461.584	3.407	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1	408905951	BGQQNGCOGQEVTG-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)CC1	409006937	SSLDTCMDNGSTIH-TURZUDJPSA-N	472.545	3.073	50	40	JGGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1	409219403	QACWOOFJIGTEMY-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
O=P(O)(OC[C@H](Br)CBr)OC[C@H](Br)CBr	1666663	CBPKIOGAUWKEFT-PHDIDXHHSA-N	497.740	3.437	50	40	JGGB	in-vitro
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8820321	BEAZYHJYZWAJQT-XNTDXEJSSA-N	477.480	3.221	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1	15225356	DMLNGGOHUDNPSP-CVKSISIWSA-N	469.538	3.484	50	40	JGGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	17294171	ZTXZRRNKYFBOBA-UHFFFAOYSA-N	453.520	3.349	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	19950462	IBPUXLMYNPTHGX-PCLIKHOPSA-N	454.527	3.237	50	40	JGGB	
CN1CCC(=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)CC1	20047745	DJJBUFGCTGLIIS-UHFFFAOYSA-N	469.394	3.387	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(Br)c1OC(C)=O	20086271	YJEWNYANJIXDCV-SFHVURJKSA-N	496.317	3.453	50	40	JGGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1	20211994	SUSDEKKSFQKSIB-OEAKJJBVSA-N	467.975	3.444	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408893861	NWBYMJPUYKXJMO-ZVHZXABRSA-N	499.501	3.452	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	409153782	FJPSYFCFUPKTBK-RDRPBHBLSA-N	472.545	3.076	50	40	JGGB	
C[C@@H](NC(=O)COc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409165364	XDRXQTKHAUYAON-KWRYHKOTSA-N	469.881	3.332	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1OC	409322023	VRJCEYLGLKGLBX-VROXFSQNSA-N	452.294	3.195	50	40	JGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C#N)cc2OC)c1	1435654	PHLNIMJVPAWDJL-JFLMPSFJSA-N	459.458	3.324	50	40	JGGB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	3233076	MIBUOGSBYVKODP-NHFJDJAPSA-N	477.586	3.457	50	40	JGGB	
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NNC(=O)c1ccccc1	9480810	SLETWBOETQDHSM-UHFFFAOYSA-N	473.514	3.216	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)C2)s1	12797150	XSNGFOIBKGUNSH-HIFRSBDPSA-N	481.665	3.105	50	40	JGGB	
CC(C)CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2C1=O	15346658	ODDUXLJCXJUYGJ-UHFFFAOYSA-N	458.312	3.166	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	19949981	VJWMYJQDXMKRJC-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
Cc1ccccc1OCCCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	40050677	QZBHXIHXPPTZQQ-UHFFFAOYSA-N	470.533	3.317	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(I)cc1	408777389	ZRBKBHOGFUTLRX-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O	408880273	FVDNKEZQHWQFPT-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c1	409010688	DGNXXVOLNBDURB-WMPMWDHYSA-N	455.555	3.381	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)c1	409264365	FERXXCOSKXSGGG-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(N)=O)(c5ccccc54)[C@@H]3C2=O)cc1	2204920	JYTQCFBDNVXBDG-JTXSPPNBSA-N	480.524	3.290	50	40	JGGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	2278054	NWXNRIRRKWIYIW-DCBAJMHUSA-N	467.525	3.423	50	40	JGGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCOCC3)c(Oc3ccccc3Cl)nc12	3644182	SSGBOFDZKIQLAR-DTQAZKPQSA-N	450.882	3.214	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816745	UNTMBQMLTCBQKZ-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1OCC	20213221	OLXOEYXWOIQOPQ-ZVHZXABRSA-N	495.985	3.228	50	40	JGGB	
N#CC1=C[C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	104008042	YBWBKNWQBNGMGI-BQJUDKOJSA-N	474.860	3.267	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1	107893517	BZDFSIPOPBLXSN-KZJCWCHPSA-N	497.511	3.171	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O	408777590	CRWDLMDGTDYDDR-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408778608	IKFRARSZOQIJOJ-AFUMVMLFSA-N	471.510	3.194	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c1	408839786	CIMPACYGBLKYEK-AFUMVMLFSA-N	472.542	3.158	50	40	JGGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c(C)c(C#N)c1=O	409062257	QWTIVEZVOHUVOP-GATIEOLUSA-N	456.289	3.492	50	40	JGGB	
Cc1c(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409070309	NWPXIOBHEQORTK-RAWMCFOBSA-N	470.367	3.104	50	40	JGGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409325349	YBTFOIHTXJRERR-RBUKOAKNSA-N	479.986	3.078	50	40	JGGB	
Cc1nn(Cc2ccc(C(=O)NNC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)c(C)c1Br	2754740	DUAVRFKGNOQGKT-VQHVLOKHSA-N	488.298	3.286	50	40	JGGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	9660220	SKDQXMCZZQPPGO-BTSCWMHGSA-N	455.580	3.053	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc3scc(-c4cc(OC)ccc4OC)n23)cc1	12878972	IUNSSORKQFGOIX-UHFFFAOYSA-N	499.574	3.037	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccccc2)c(=O)c2ccccc12	12943523	KWHHTCJZLWSSBN-UHFFFAOYSA-N	456.546	3.422	50	40	JGGB	
N#CC1=C(N)N(S(=O)(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	20086022	LGWAPHZMUZHERA-FGZHOGPDSA-N	474.498	3.328	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl	58881805	ZMQHJTXUHAZOCO-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	408531312	NSIKVYWGMWEKHG-BRJLIKDPSA-N	451.405	3.012	50	40	JGGB	
Cc1cccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(Br)cc3)n2C)c1	924665	QIICJQMLESFABW-UHFFFAOYSA-N	460.357	3.106	50	40	JGGB	
CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)COc1ccc(C)cc1	6878281	GFYALWGXFRRQSO-UHFFFAOYSA-N	489.985	3.157	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	9562428	NVIKYJMTVCLOIL-IURVDIKRSA-N	459.930	3.127	50	40	JGGB	
O=C(c1ccccc1)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1cccc2ccccc12	16476611	OHQMVKHFQAFUIS-UHFFFAOYSA-N	491.550	3.325	50	40	JGGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	17472276	RSAAPOHZQSCEJZ-WYMPLXKRSA-N	456.296	3.388	50	40	JGGB	
CN(CC(=O)N/N=C\c1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1	33644112	NEGVTVQGNJIVSW-XKZIYDEJSA-N	460.353	3.373	50	40	JGGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1cc(Br)ccc1O	100872008	CRVRIWAGIWPONO-KXYDBCRFSA-N	480.361	3.092	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408611919	SGZWLESYCOLYKM-FVWOBLMASA-N	494.773	3.427	50	40	JGGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O	409058545	YHYXMHAONJFHTO-GATIEOLUSA-N	456.289	3.492	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1	409167958	KLZOESLMERGESK-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(N)=O	409219966	SBOPBJMDNTZEIL-VIZOYTHASA-N	458.312	3.484	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1	409224354	JEEZXSHYUKIQMN-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc2ccccc2c1	9293379	BJGHTDLUQLMRIX-JVWAILMASA-N	481.520	3.176	50	40	JGGB	
O=C(CNC(=O)c1cccnc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	9462988	NRCMESJJMKPARA-LGJNPRDNSA-N	467.323	3.303	50	40	JGGB	
CN(c1ccc(OCC(=O)NNC(=O)c2cccs2)cc1)S(=O)(=O)c1ccc(Cl)cc1	9910640	AKQUVVBKIZFZIO-UHFFFAOYSA-N	479.967	3.067	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(C)cc2)cc1OC	14166431	BQZOVGKKLAQDTK-NLRVBDNBSA-N	497.573	3.454	50	40	JGGB	
COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)ccc1OCCC(C)C	16203605	YJQRPHBNQDXIBW-QGZVFWFLSA-N	469.538	3.085	50	40	JGGB	
CSc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(SC)cc2)C=3C#N)cc1	20275277	FUXCMQMLIWQMIT-IOAQBMTJSA-N	474.636	3.305	50	40	JGGB	
O=C(NNC(=O)c1ccc(Cl)cc1)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1	20365291	QWRLFYFNIWLCBY-LBPRGKRZSA-N	476.242	3.425	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC	58882635	DYTHEQYCNPBRSG-QRQIAZFYSA-N	461.518	3.205	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2cccc(C)c2)cc1	409064975	RIVXDWALNUQBLL-MFKUBSTISA-N	451.548	3.350	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC(=O)OC	4209686	QANIVDOHUNNZBC-WPWMEQJKSA-N	462.502	3.023	50	40	JGGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8427149	WOBIFXUUJKFJKM-WSDLNYQXSA-N	479.361	3.394	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	8780810	GXLIHPJMDFWBMG-CNHKJKLMSA-N	479.272	3.336	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl	14244399	HUVHCVYUCRAWGH-UHFFFAOYSA-N	476.407	3.105	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@H]3[C@H]5[C@@H](I)[C@@H]4[C@H]23)c([N+](=O)[O-])c1	245283740	ONQRMRLNRDSIAF-VLZPLETESA-N	466.235	3.462	50	40	JGGB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)c1	409172080	GWTPBHBMZWKRRG-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1	409256172	KBBZFBQCFJKHAM-STBIYBPSSA-N	472.545	3.341	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])ccc1O	1087057	VDCOGEHIQWLSEF-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccccc2Cl)c1C#N	1499512	RHKAIKGJXKHVNP-GZIVZEMBSA-N	451.708	3.353	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1	2178202	NPTPXHUFOSZJDD-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C[C@H](CC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCN(c2ccccc2)CC1	9850815	YGBJMCOVIQGKOT-QGZVFWFLSA-N	476.499	3.232	50	40	JGGB	
Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1	12787660	LFFSCGCGCKDDML-UHFFFAOYSA-N	472.379	3.038	50	40	JGGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	19952579	FYTNROPKIZIBTN-FYJGNVAPSA-N	462.325	3.388	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	20059719	FGBXBCAXIQUERU-KOEQRZSOSA-N	466.563	3.461	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1	58882165	IJKQLCIUGVWXFH-AFUMVMLFSA-N	475.461	3.010	50	40	JGGB	
CCc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc(O)cc3)C(=O)c3ccccc32)cc1	102622876	NOEPGHRSRNPNQH-SLMZUGIISA-N	475.526	3.147	50	40	JGGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)cc1	409061582	FZOLMQWGVPSVAK-MBTHVWNTSA-N	467.485	3.434	50	40	JGGB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(=O)NN)n2-c2ccccc2)cc1	886864	DZUXRLFJQXJTLG-UHFFFAOYSA-N	488.573	3.489	50	40	JGGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770430	YIMFZXBGLUBLDI-ICSRJNTNSA-N	492.532	3.283	50	40	JGGB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1	9442214	SHQHCRHZPNRDHB-UHFFFAOYSA-N	479.591	3.264	50	40	JGGB	
Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)c1ccncc1	13955603	HUWYVOVOZSISPY-DEOSSOPVSA-N	453.502	3.268	50	40	JGGB	
CCc1cccc(C(C)C)c1NC(=O)/C(=N/NC(N)=O)[C@@H](C(=O)OC)c1cnc2ccccc2n1	16957762	KVPLHVOBCIOKCU-QQIFDKHHSA-N	476.537	3.235	50	40	JGGB	
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	100787309	MCKIXQMVQKSLCG-PXLXIMEGSA-N	487.537	3.429	50	40	JGGB	
CC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)CC1	408680778	GOEHBLHDTZAGRC-QMROVXIMSA-N	461.356	3.068	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OCC	408871083	VUVSGLMFBIWNCH-YDZHTSKRSA-N	467.975	3.362	50	40	JGGB	
O=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1cccc(Br)c1	849851	GNCMDQLQKWSGRQ-UHFFFAOYSA-N	451.277	3.192	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC)c(OCC)c3)[C@@H]2C1	1298716	NIQAXCHQFHHGOT-DENIHFKCSA-N	461.522	3.366	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O)=C\c1ccccc1	8820664	YRKJBTPFGJJDSU-RZTVDGLLSA-N	482.543	3.204	50	40	JGGB	
O=C(NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc(COc2cccc3cccnc23)cc1	22617199	MAWXSJWVYFLRSJ-QHCPKHFHSA-N	467.481	3.357	50	40	JGGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	59473161	OLJRFIHOEDUFDP-HUSFYUSLSA-N	461.971	3.209	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409031199	GSQGQKGFXNOXTB-XNTDXEJSSA-N	461.430	3.297	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409172848	GAWMHSKTXCMUEJ-UVHMKAGCSA-N	464.444	3.089	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1	409260426	QCXCAPOXUQDVDI-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c1OCC	1256217	CKVWVLUTFBNHCR-KKSFZXQISA-N	451.523	3.351	50	40	JGGB	
CN(C)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCCCC2	9599767	NDSZEOYZFGTFFH-UHFFFAOYSA-N	490.651	3.260	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-]	13785566	WVDDHJOJWSAJOQ-WJDWOHSUSA-N	490.950	3.301	50	40	JGGB	
CCCCOCCCNC(=O)CCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1	13898555	JHDCFUGANPUNQL-UHFFFAOYSA-N	496.608	3.382	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1	19950693	QMQMNEKENUNGRY-LFVJCYFKSA-N	453.520	3.137	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	20209904	KAGJXQQGTXROEI-CIAFOILYSA-N	468.373	3.153	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	20214253	LQNBSYAVIRTHIO-NLRVBDNBSA-N	495.557	3.202	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1	20461337	XFMJHEWPKOWNCR-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc(OC)c1OC(C)=O	27551125	DCDLPXSFUCHWSR-SFHVURJKSA-N	477.433	3.146	50	40	JGGB	
CC(=O)N(c1nc(/C=N/NC(=O)c2csc(N3CCOCC3)n2)cs1)c1ccc(F)cc1F	40161338	UVUOGRJVVMSHQD-NUGSKGIGSA-N	492.533	3.163	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2	59435865	WCWJEWHAMWPFEF-DHRITJCHSA-N	485.949	3.410	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccccc2)c1	408773539	RINKLHOKKQGSQC-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1	408922410	AOELVGBHTFRXBH-CNRHGSOZSA-N	468.373	3.153	50	40	JGGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409039457	WQGRJSWJAPUHOF-XNTDXEJSSA-N	461.430	3.297	50	40	JGGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])c1	409221942	BSOCUBXXQCGHLW-QRVIBDJDSA-N	464.390	3.495	50	40	JGGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1	409309337	FQPNYZIEKUXCEX-MRXNPFEDSA-N	451.504	3.192	50	40	JGGB	
NNC(=O)c1csc(N/N=C(/CC(=O)c2ccc(Br)cc2)C(F)(F)F)n1	1414998	UKISRPPFONPDDI-JJFYIABZSA-N	450.240	3.112	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8819262	OOKLNFXWQMYEMU-CXUHLZMHSA-N	491.482	3.377	50	40	JGGB	
CCn1c(NNC(=O)Cc2csc(COc3ccc(F)cc3)n2)nc2ccccc2c1=O	11374993	OVBMUXRFAFLPDB-UHFFFAOYSA-N	453.499	3.277	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C	14361259	ZFJLCWQUSVFGNX-PIEWCYRHSA-N	495.502	3.229	50	40	JGGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1	15225344	GZFFPYUOARBGGU-DHRITJCHSA-N	460.918	3.215	50	40	JGGB	
C[C@@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12	15319866	JLZLWNGCXISZCS-QZCOKETMSA-N	488.769	3.074	50	40	JGGB	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)c1	16718797	MJNDIPIXCPMJHT-BOPFTXTBSA-N	475.979	3.401	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1	19947925	OTJDDWOXPOBHSN-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O	110191872	NFNHCYSDVNSSLZ-WSDLNYQXSA-N	492.351	3.089	50	40	JGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677625	SWNNEJYEIRADSV-YDZHTSKRSA-N	460.328	3.365	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc2ccccc2c1	408740615	HLMQKPIJAGJEDX-SZMVHAFZSA-N	450.907	3.273	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408861011	KUAJAQGVCZDSIL-TTXZLZEXSA-N	465.959	3.051	50	40	JGGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)cc2O)cc(OC)c1OC	409003057	RBHIEBMLUVQNTN-DHRITJCHSA-N	465.462	3.140	50	40	JGGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	409183192	AULKCIKCWRHTAE-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1	409204874	CYRUHGDYWNBUOM-XLCPLWEUSA-N	485.382	3.228	50	40	JGGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1	8871634	RCOHGWMBJYWZAI-QGOAFFKASA-N	454.577	3.087	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]2c2ccco2)cc1	8996944	SCISKQAWBBWOPL-HXUWFJFHSA-N	466.519	3.009	50	40	JGGB	
CCc1ccc(/C(C)=N\NC(=O)CC(=O)N/N=C(\C)c2ccc(CC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	9057000	DSVMHOLZXRUBIO-WJVNUPORSA-N	482.497	3.399	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C	9459635	CWIVLWHWTNKVMP-SRZZPIQSSA-N	460.357	3.496	50	40	JGGB	
CC(C)OCCCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O	9461427	ZNMYCDYPBLRXNB-UHFFFAOYSA-N	488.997	3.418	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccccc2)cc1	19950703	CFOJSSJTAHNADS-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(Br)c1	20209743	TWKRWPNKKSZKDX-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c1	33736346	JYAONDHIZYTPAO-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	408778363	FIEISAHOHKWDDT-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	408780506	CMTXIJOTBNLXNS-BTSCWMHGSA-N	455.580	3.053	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC	408784512	UFCBJYNCVCOKEI-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1	409007143	TVFKYMKUQKRQKW-YZSQISJMSA-N	451.523	3.271	50	40	JGGB	
CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21	409205680	SEJULSIQONNQBN-XLCPLWEUSA-N	487.398	3.474	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1	409255573	MDXPEAUKGCDHAR-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1cc2cc(C)c3nnc(SCC(=O)NNC(=O)C4CCCCC4)n3c2cc1OC	877362	CZCWAOZVYQSVRY-UHFFFAOYSA-N	457.556	3.028	50	40	JGGB	
CN(C)C(=O)C(=O)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1	2298086	SXHQSEMXJQIGEC-UHFFFAOYSA-N	486.355	3.382	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1OC	20061215	SLEZMPCBPDBRPV-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)O	59333038	TXRBTCQOOZSIOH-BOPFTXTBSA-N	455.898	3.068	50	40	JGGB	
O=C1/C(=C/c2ccc(N(CCCl)CCCl)cc2)SC(=S)N1CN1CCOCC1	68562351	CVQVDWRDRYFJMI-LGMDPLHJSA-N	460.452	3.462	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1[N+](=O)[O-]	408761620	HHZNMPIGVVIBIW-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C	408851862	AWEBWQZZBVHNGX-ROTLSHHCSA-N	465.462	3.028	50	40	JGGB	
COc1ccc(-c2nc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)cs2)cc1OC	12686986	IGCRDPUFXRXNFK-UHFFFAOYSA-N	467.482	3.227	50	40	JGGB	
COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl	16693996	YZEXNPMMKNWXJM-WJDWOHSUSA-N	454.866	3.361	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1	19948931	WMSSUJCJDKRXDJ-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(OC)c1	19956922	VESOYWGQFUQUDG-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
O=P(O)(c1ccc(I)cc1)c1ccc(I)cc1	78230789	JNJMVYTYUAOJJE-UHFFFAOYSA-N	469.984	3.117	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCc1ccc(Cl)c(Cl)c1	408609407	RFHYLKZJQNAEKU-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1	408648800	ZRQUPNSZIQUHFF-UHFFFAOYSA-N	466.877	3.198	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1	408906291	FPGHHULWEFCIGC-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccccc1Cl	3116381	UVNNEDQPCAYNFA-BRJLIKDPSA-N	455.854	3.041	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N(C)Cc1ccccc1	9508732	UBHXHRSJXKFTKG-UHFFFAOYSA-N	487.965	3.244	50	40	JGGB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1	408673824	VVLUJTVUEHSVAK-NCPBCQDQSA-N	490.579	3.056	50	40	JGGB	
O=C(NCc1ccccc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1	408683339	LDUBGCUEOSPEQE-PJBUMPDVSA-N	469.335	3.126	50	40	JGGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	1262080	DVYQYKAGPBLKFV-HXPMCKFVSA-N	486.322	3.045	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)cc1	8768571	LSDQGIOHKZTOLA-LVZFUZTISA-N	486.576	3.089	50	40	JGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1	15512608	YBIJUSOOHKETDH-UHFFFAOYSA-N	482.002	3.298	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	16248437	YVCOYVMFHARLMR-ZVHZXABRSA-N	451.504	3.145	50	40	JGGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1	19951045	CGARDPMDTLPPNB-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	20211522	VGDCIHWFFXTHCK-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OCC	58924960	LTVJJONDWBDXLM-OEAKJJBVSA-N	465.959	3.220	50	40	JGGB	
O=C(NNc1ccccc1)NP(=O)(NC(=O)NNc1ccccc1)NC(=O)NNc1ccccc1	95876620	XIDNUMUTPZZBDI-UHFFFAOYSA-N	497.456	3.073	50	40	JGGB	
C[C@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	100162510	JLZLWNGCXISZCS-NKALOTHLSA-N	488.769	3.074	50	40	JGGB	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	100777547	MTOTXNDDEBPXOP-BJMTYYTDSA-N	497.585	3.133	50	40	JGGB	biogenic
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1	409157049	HQRZWTHSXUAWEH-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409187896	COUIDHNUXLFHCM-ZSOIEALJSA-N	451.317	3.365	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)c(C)c1	409270175	CVARPJBVUWMCPN-RWPZCVJISA-N	482.581	3.011	50	40	JGGB	
Cc1cc2c(c(=O)n1C)[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	9743052	YXEVSJLTKNZYDK-RUZDIDTESA-N	458.905	3.266	50	40	JGGB	
C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NNC(=O)c5ccco5)nnc4c23)C1	13502592	OZGLAGFSUJJSPX-LLVKDONJSA-N	482.591	3.488	50	40	JGGB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)cc2)cc1C	16072577	JHVGGOYKWZYDAA-QGZVFWFLSA-N	485.537	3.472	50	40	JGGB	
Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N/N=C/c3ccc4c(c3)OCO4)s2)cc1	28628417	KNEYYMWXQFRGFJ-UFFVCSGVSA-N	458.521	3.053	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c2ccccc2)cc1	408977067	CSEDUUSCYWCOTR-FBTHGLLTSA-N	482.518	3.169	50	40	JGGB	
COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409013855	WHWOJBNOHFTWGE-DJKKODMXSA-N	469.235	3.257	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409253117	ARRFZWQVPGGLJN-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1	409256863	NVWLCOIQNGGCHT-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccccc1F	409265996	XIPSIFWCMBNPPT-SVLFYUKMSA-N	492.935	3.260	50	40	JGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1086883	RJZXCDHEOZSKLY-ODCIPOBUSA-N	472.255	3.095	50	40	JGGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(S(N)(=O)=O)cc1	1097182	UBZPWQYHLKFWTC-FSJBWODESA-N	475.368	3.268	50	40	JGGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	1817338	VOFSGWHZOPXYNR-JVCXMKTPSA-N	490.947	3.211	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)c(OC)c1	2403984	JPPYNAJVOOPKDA-YDZHTSKRSA-N	453.476	3.073	50	40	JGGB	
O=C(O)COc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3212284	HMIAVVHDISYHOD-ZMOGYAJESA-N	487.921	3.368	50	40	JGGB	
CC1CCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2cccc(Br)c2)CC1	12810045	SIHLAKCODRVQRR-GZTJUZNOSA-N	470.371	3.353	50	40	JGGB	
O=C(CNc1ccc(Br)cc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1O	15134198	MYPMGIJHEWYGSL-FBCYGCLPSA-N	472.093	3.388	50	40	JGGB	
Cc1occc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	17442230	SEXPWSITWPBNNR-UHFFFAOYSA-N	478.324	3.226	50	40	JGGB	
CCOc1ccc2nc(NC(=O)c3c/c(=N\NC(=O)C[N+](C)(C)C)c4ccc(O)cc4o3)sc2c1	18037654	CWDWZUQUXJAESB-UHFFFAOYSA-O	496.569	3.037	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1	19951348	OTHDMRZBJHVYMS-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(Br)c1O	20086265	BCJQCDHBBFTYKG-MRXNPFEDSA-N	454.280	3.233	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1	20493173	IGRZGWKRVNOHHN-NLRVBDNBSA-N	480.590	3.497	50	40	JGGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)o2)cc1	22562753	DFTWPWNBAUMLQY-YDZHTSKRSA-N	456.524	3.210	50	40	JGGB	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc(Cl)c1	408673825	VVLUJTVUEHSVAK-ORIIPUBOSA-N	490.579	3.056	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC#N)cc3)cc2)cc1	409114991	JJIATXIYUIPUPV-YZSQISJMSA-N	462.531	3.486	50	40	JGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)ccc21	3419584	ITPVYGVRMCTVBK-IRXDYDNUSA-N	497.621	3.106	50	40	JGGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1cccc(I)c1	8386533	JMRAGIYTIGTJDB-UHFFFAOYSA-N	484.091	3.448	50	40	JGGB	
C/C(=N/NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccc(OCc2ccc(C(=O)O)o2)cc1	8816356	CDYPSWGFTXTOFH-QRVIBDJDSA-N	469.454	3.209	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2ccc(NNC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)cc1	9097263	XLVYJLPDPAGMIO-UHFFFAOYSA-N	463.516	3.363	50	40	JGGB	
N#CC1=C2N(N=C(N3CCOCC3)N2c2ccccc2)C(=O)N[C@@]1(c1ccccc1)C(F)(F)F	9613507	NNMVSDLLCMNZSV-JOCHJYFZSA-N	468.439	3.328	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1	13476612	UTUXCZHYLDSSCB-BMDAWFAWSA-N	467.529	3.020	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Cl)c1OCC(=O)O	14408706	BLPXFXXPIZSEBB-IFRROFPPSA-N	457.664	3.044	50	40	JGGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1	16593691	VOBKMLNFPJQNKU-MRXNPFEDSA-N	463.625	3.224	50	40	JGGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F	16996363	YODRZWOGLGGORO-PMACEKPBSA-N	453.495	3.453	50	40	JGGB	
O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NNC(=O)C[C@@H]1SC(=O)NC1=O	36633758	YWJNDBCNENWGCO-AWEZNQCLSA-N	467.334	3.169	50	40	JGGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NC1CC1	408607053	BNUJMCDRWKEJLZ-LSHDLFTRSA-N	450.720	3.410	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1O	408781055	QVOIFAYGXLXQHH-AFUMVMLFSA-N	471.510	3.194	50	40	JGGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	408924125	ODVOTIYMUOMAMF-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OCC)c1	409152217	DPFGQXIKKWXJSD-JFLMPSFJSA-N	468.554	3.086	50	40	JGGB	
CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)n21	6232588	ZPQYXZLHWVHBTB-UHFFFAOYSA-N	471.970	3.208	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OCC	6500886	ZRPGNFROONCEKD-LFVJCYFKSA-N	477.583	3.189	50	40	JGGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cc(Br)c(Br)s1	10215787	QPVLFJZEIWSSGK-MRVPVSSYSA-N	473.146	3.373	50	40	JGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CNC(=O)c3ccc(C)c(C)c3)cc2)n1	12946168	GJNHLWADCWQQMW-UHFFFAOYSA-N	477.590	3.194	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	16071671	RTRCWARPNSWFAG-KRWDZBQOSA-N	469.563	3.099	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1	58881207	YJKNABVACDARDD-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1	408672940	PMFPCBPIIARKCI-FNFFVJSTSA-N	478.568	3.201	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C	409151868	HVLFHAFCKPFLQJ-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1	409223146	HFJNUKNAFLCDCM-UUYOSTAYSA-N	450.363	3.192	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1	409268894	ZFBJAKKCJZLNEV-OBPDLJBASA-N	495.363	3.384	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccccc2F)cc1	15225372	WHKYACICDOYMEF-VULFUBBASA-N	483.521	3.174	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)c1	15938599	FWISXDIAHRTVRL-UHFFFAOYSA-N	465.531	3.338	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1	20493172	UTUYMISVCXDIDU-PCLIKHOPSA-N	481.530	3.129	50	40	JGGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1	26966614	NOIXBXNUPAGURJ-KZFLWGQDSA-N	466.950	3.403	50	40	JGGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H](c3cc(Br)ccc3O)c3sc(=O)[nH]c3S[C@H]12	100872013	CRVRIWAGIWPONO-QFWOYFARSA-N	480.361	3.092	50	40	JGGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2)cc1OC	408973595	ZHUJISXJIPHIMF-VULFUBBASA-N	499.511	3.274	50	40	JGGB	
O=C(COc1cccc(Br)c1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	409119112	RDRGPJFZRKVJSC-WSVATBPTSA-N	473.077	3.355	50	40	JGGB	
CCNC(=O)/C(C#N)=C/c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O	2199715	DHOZJQBFOVLAQW-NBVRZTHBSA-N	476.968	3.026	50	40	JGGB	
N#C/C(=C(\OCC(=O)N1CCN(c2ccccc2)CC1)C(F)(F)F)c1nnc2n1CCCCC2	3317557	RQJQHQPILJFHDL-DYTRJAOYSA-N	474.487	3.167	50	40	JGGB	
CC(C)(C)[C@H]1CCc2c(sc3nc(CN4CCN(C(=O)CCCl)CC4)[nH]c(=O)c23)C1	13513529	GMAWPUYOOZEBCT-AWEZNQCLSA-N	451.036	3.409	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccccc2)cc1OC	33371852	UDOWMMVZASJFLM-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)c(Cl)c1	36006870	LOBHQXYNBCKJFM-LFVJCYFKSA-N	483.421	3.149	50	40	JGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)cc(I)c2O)c1	38172662	ZZOMAWHYLILBTD-UFWORHAWSA-N	457.655	3.373	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	59463281	WMNHDSRXQFGPLI-RPPGKUMJSA-N	478.461	3.473	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	211033974	LJHZOOXICKZOKH-HZHRSRAPSA-N	492.554	3.346	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccccc1Cl	408647494	UACXVPSIZBBKJI-UHFFFAOYSA-N	453.882	3.216	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cc(C)cc(C)c2)cc1OC	408881648	JUFKCVWMHLNYFN-CVKSISIWSA-N	482.562	3.061	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1	408907800	SFIWAPINEKFSHY-HADWXUJASA-N	468.373	3.153	50	40	JGGB	
CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)N[P@@]1(=O)NCCCO1	4707329	ALDGFHDGYHJBJS-YMGMXPECSA-N	452.319	3.152	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC	20195168	NOSZKVZAUFRYRE-FOKLQQMPSA-N	463.328	3.319	50	40	JGGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccc1	20573178	KOQLZMQHONHGIK-IERDGZPVSA-N	462.506	3.138	50	40	JGGB	
Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408854341	CVAOXJOSNPDKMN-ZMFRSBBQSA-N	478.505	3.086	50	40	JGGB	
Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n1	408991816	YWFRLFTVDSLOBF-DNTJNYDQSA-N	494.147	3.029	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1	409057764	MCUPYZSPGWNNCQ-CVKSISIWSA-N	469.538	3.484	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)c1	409256599	MGZZVMAZDIJENC-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	1254523	SHOXSNMTGHZADS-FAJYDZGRSA-N	460.921	3.180	50	40	JGGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1	1774924	RHOVPAIIXAFCFZ-QGOAFFKASA-N	455.561	3.143	50	40	JGGB	
O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	9261855	XRVJDAWGCSRVDW-AFUMVMLFSA-N	483.318	3.299	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C	9631403	RSUUUNYFCVZCMK-ALBRVKHLSA-N	481.549	3.154	50	40	JGGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	108904698	WWWOPNCQGHZCAM-LQKURTRISA-N	470.529	3.342	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)cc1	409154308	GORVTNRHRFGMJZ-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21	409205673	SEJULSIQONNQBN-OUQXZNHLSA-N	487.398	3.474	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1Cl	409262994	GNPGEBYPDSFEGH-UVHMKAGCSA-N	498.923	3.116	50	40	JGGB	
O=C(COc1ccc(I)cc1)N/N=C/c1cc2c(cc1Cl)OCO2	881149	WPNYMJOLCMWIGL-FBCYGCLPSA-N	458.639	3.202	50	40	JGGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	2801703	ZDMXEADPOAPUJB-GXDHUFHOSA-N	468.447	3.056	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1OCc1c(F)cccc1Cl	408615317	OTXJCFXPQMPXTJ-UVHMKAGCSA-N	479.936	3.448	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(C)C	408860492	WVODCYMLQNXLAR-OEBVFIGYSA-N	479.986	3.439	50	40	JGGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)O	408980207	PVIHZVHKLPAGAN-BOOTZKDASA-N	475.501	3.170	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1	409017909	WHKCXMFMVSSSKA-DICXZTSXSA-N	493.516	3.259	50	40	JGGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)c1	2134916	SSRUTHUEVVOWJY-UHFFFAOYSA-N	462.344	3.319	50	40	JGGB	
N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NC1CCCCC1	3308251	NFEJNSQBUOMFNQ-KNTRCKAVSA-N	469.563	3.323	50	40	JGGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc(OC)c1OC	9012135	NFSGZOAPIFJSJF-QGZVFWFLSA-N	467.547	3.101	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(I)c1O	9289339	CQSAYMPOZIMQPU-DJKKODMXSA-N	489.107	3.461	50	40	JGGB	
COc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1	9308174	LBIZUKPTNGHZTC-WYMPLXKRSA-N	498.956	3.341	50	40	JGGB	
O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)NNC(=O)c1ccco1	13502571	ACJFGHRWDRMJCI-UHFFFAOYSA-N	468.564	3.242	50	40	JGGB	
Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	19890553	RXGQFSDYYGBMNT-LJQANCHMSA-N	475.376	3.404	50	40	JGGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59250526	DLFPUPMOPAGTBV-FOKLQQMPSA-N	450.407	3.163	50	40	JGGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)S(C)(=O)=O	409122020	YDQJVGMMOPGNCB-BUVRLJJBSA-N	482.518	3.334	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409268522	UZYGPTGATIYSRQ-OPEKNORGSA-N	493.347	3.138	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)ccc1O	880442	XABGGIASQNHUFK-AWQFTUOYSA-N	454.264	3.151	50	40	JGGB	
COc1cc(C(=O)NNC(=O)CSCC(=O)Nc2ccc(C)cc2C)ccc1OC(C)C	15527122	JXQXHMNYTFNKPV-UHFFFAOYSA-N	459.568	3.232	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C)cc2)cc1OC	19955599	ONSRJJWFUHBCEJ-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)C(N)=C(C#N)[C@@H]2c2ccccc2)cc1	20094984	SIJCYZNRYOOKHD-DQEYMECFSA-N	486.553	3.378	50	40	JGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC	20232933	LIYCKUIHLGCZRI-PCLIKHOPSA-N	497.529	3.429	50	40	JGGB	
CCOC(=O)CNC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1	20348210	QKTXGRQNKGGCAJ-NRFANRHFSA-N	495.557	3.088	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccccc1	20493159	IDQIWCCOHBJFNB-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	26963871	MYDQTYOYNTWAFW-XMHGGMMESA-N	472.505	3.137	50	40	JGGB	
CN(CC(=O)N/N=C\c1ccccc1Br)S(=O)(=O)c1ccc2ccccc2c1	35334821	VLICUJLDHMQCOF-XKZIYDEJSA-N	460.353	3.373	50	40	JGGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	59392258	MMVZBAJTLXTPQJ-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1	59443769	VMWYKTUWDGDRAO-LFVJCYFKSA-N	453.520	3.186	50	40	JGGB	
CCC(CC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	59443931	INLONTPRPUMMPR-UHFFFAOYSA-N	461.584	3.229	50	40	JGGB	
N#CC1=C(SC[C@@H](I)CI)N2CCC[C@H]2N=C1	106534944	OBZXHUYALZOGJW-UWVGGRQHSA-N	473.121	3.200	50	40	JGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(O)c(I)c1	408799932	JLRJJXXEIQSKIG-JVVDXDAESA-N	496.086	3.423	50	40	JGGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409327818	WQWTXVYGKWZSKS-HUUCEWRRSA-N	473.334	3.036	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1Br	8439814	WUXRFNFABHRXNY-SRZZPIQSSA-N	487.807	3.085	50	40	JGGB	
COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1	30734370	PVDHYXFUEBDLFE-YYICTIRRSA-N	475.476	3.033	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)cc1Cl	408863276	LOEAQTYGHWGHEP-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1	409025385	QMOIPTXMTIWOME-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)c(OC)c1	409059332	WMDVJJHNBNZJDK-ZRGSRPPYSA-N	465.897	3.156	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(SC)cc1	1529547848	PUABDYPGFLRMTN-WUKOTQDVSA-N	498.630	3.294	50	40	JGGB	
CC(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C(N)=O)cc1	989355	DOKGMYXRWUTIJR-UWYGHVLSSA-N	484.625	3.070	50	40	JGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1	9292383	ASTVDCMKHNHZMX-VIEQMYLGSA-N	457.534	3.471	50	40	JGGB	
O=C(O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1	13059732	BFEMBEPTABOOHN-UHFFFAOYSA-N	473.370	3.101	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	20060571	JILJBEADLDWJSW-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CCOc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	59921772	UUAOPLQQYMDOPC-HZHRSRAPSA-N	494.411	3.399	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1OCC(=O)O	408808863	GHPDZMNFTMWMFL-VTEMSQBJSA-N	498.317	3.365	50	40	JGGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1	408935605	GEVWJSVUCBYRBK-DHRITJCHSA-N	460.918	3.215	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408973461	SLYDXBNEXBHCMP-YDZHTSKRSA-N	498.374	3.148	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409254910	JSYCIEPYPRPRQL-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cccc(C)c1C	409264445	FSXCWFABYDWBRL-OXVLKEGXSA-N	468.554	3.084	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	14922913	SEOHJBGGMCGLAD-UBKPWBPPSA-N	477.065	3.251	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccccc2)cc1	15223361	KSDBALOLOMZFNL-AFUMVMLFSA-N	465.531	3.065	50	40	JGGB	
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3ccccn3)c2)cc1C	15342027	KNHFQPAWECMHFG-UHFFFAOYSA-N	458.927	3.227	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC	107911761	ITLXGFCATHVVHV-KEBDBYFISA-N	499.261	3.379	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OC	409377261	HDZNKRWIQDIQJE-SRZZPIQSSA-N	459.328	3.071	50	40	JGGB	
C/C(COc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1	13788409	VRRZFALGRVCDNL-ZMOGYAJESA-N	498.956	3.363	50	40	JGGB	
CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1cccc(Br)c1)c1ccc(OC)cc1	59490224	AAYZRSGAWARJMV-KGENOOAVSA-N	468.373	3.154	50	40	JGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O	409024901	IVMFRAVJBHUTQN-ZVHZXABRSA-N	471.922	3.384	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	409028958	VQDNWHNZQKDDCS-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	409166688	FGRDDKPHCYPJOD-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C\c3ccc(CC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(CC)cc1	2334265	LGVLCWDANXUVQA-AMCKHAKVSA-N	485.609	3.025	50	40	JGGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1	4113019	YIIPLKPPGLIZAY-ZNLRHDTNSA-N	477.811	3.401	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc4ccccc34)nnn2-c2nonc2N)cc1	13514204	RKPGTLDHANGBHC-VULFUBBASA-N	468.477	3.215	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1	13898201	HNPBKEYHLJOEPD-PCLIKHOPSA-N	473.595	3.486	50	40	JGGB	
C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	14923565	KCVNKBXAHZDDOM-SRZZPIQSSA-N	478.259	3.329	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1	15014059	LQKBRFKLQPNZHS-NLTKLDOMSA-N	474.517	3.040	50	40	JGGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	19859287	VIHOYUAYNZSBGX-LJQANCHMSA-N	461.349	3.014	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1F	20211681	AESOPJDBQCYVQQ-MFKUBSTISA-N	455.511	3.321	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCC(=O)O	408921362	ANFMVNWLJWSRKX-NTUHNPAUSA-N	478.242	3.309	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1	409161613	WNLWASCGKGGCFI-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(F)cc1	20059869	IIZGAGRXZUWNHU-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
CN(C)CN1C(=O)/C(=N/NC(=O)c2ccccc2Br)c2cc(Br)ccc21	100257227	MECYGOJZWYAIHV-LTGZKZEYSA-N	480.160	3.211	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccncc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100768400	IQAVHFGHPQBDFZ-SAIMLQKYSA-N	474.554	3.229	50	40	JGGB	biogenic
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408785367	YNRHUCOLKPHFFN-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1O	408914125	VMILSPREAQMOOJ-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)[C@@H](C(=O)OC)C(=O)N2)cc1	409134957	QIDTVHJDZLYMPH-LEWJYISDSA-N	465.531	3.195	50	40	JGGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3O)c2)cc(OC)c1OC	1472678	MFMSDJCAAZRPBR-AFUMVMLFSA-N	450.447	3.401	50	40	JGGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC	2430217	GFIKCKAEERGLQO-DEOSSOPVSA-N	487.512	3.364	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OS(=O)(=O)c1cc(C)ccc1C	3374607	GIBMPZYAARYGTJ-SIBVSACJSA-N	496.541	3.370	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O	8722692	YPFGMRFVABEMNI-ZCUUTASWSA-N	454.310	3.174	50	40	JGGB	
N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	9328118	XQJUYUWWAFVDEW-DQRAZIAOSA-N	451.442	3.336	50	40	JGGB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1	13802190	UKNVQUMUONJQNK-PDGQHHTCSA-N	455.561	3.143	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	16575611	XGEXZXXZELHNMW-CIAFOILYSA-N	468.373	3.153	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1	20210326	DNHVARYBURFNOD-OVVQPSECSA-N	494.573	3.254	50	40	JGGB	
O=C(NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1cc2ccccc2oc1=O	23109437	DFGKEYVWGIFDRM-UHFFFAOYSA-N	484.295	3.385	50	40	JGGB	
COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408606333	LNZIIKJMGBIKGJ-YSURURNPSA-N	458.729	3.439	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1	408611917	SGCWXAUASSOBFB-UVHMKAGCSA-N	498.923	3.116	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1	408731460	MVDJLBIXQQBXGY-UFFVCSGVSA-N	474.886	3.053	50	40	JGGB	
O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccccc1Cl	408731914	QSILXLVMZMWWPE-UFFVCSGVSA-N	478.759	3.899	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OCC)c1	409163516	SPPFTQIJFSDJBD-RPPGKUMJSA-N	493.347	3.162	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1	409254957	GMAMDSPIXOMGDT-OBPDLJBASA-N	495.363	3.384	50	40	JGGB	
Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)c(C)c1	2136079	MJMNZYWUXWZGHT-UHFFFAOYSA-N	450.358	3.089	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3ccccc3Cl)nnn2-c2nonc2N)cc1	2448896	OVEALMLMVUHHML-AUEPDCJTSA-N	468.930	3.251	50	40	JGGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1cccc(OC(=O)c2cccs2)c1	3117946	NMSICKHQJKADLD-QNOSVCLUSA-N	463.515	3.256	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1	9498670	KLIUHQZECGHNOB-AUEPDCJTSA-N	468.930	3.251	50	40	JGGB	
O=C(NNC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	12794094	DEHBKSVCRBIXIY-XMMPIXPASA-N	498.543	3.021	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc(OC)c1OC	14074871	ADVZFIQVIDZYJQ-UHFFFAOYSA-N	463.490	3.289	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)cc1	20764713	ACYGJTDRWFGSLG-SSDVNMTOSA-N	465.300	3.172	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1Cl	408663243	HEUUPRIYELIYMX-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	408777199	WHOZRZPSOGFRJK-YSURURNPSA-N	491.875	3.062	50	40	JGGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(I)o1	408993722	FEVQOQBJDCYLOZ-APSNUPSMSA-N	496.042	3.018	50	40	JGGB	
O=C(CNC(=O)c1cccs1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	1254327	DVKFIPAGMJXRKZ-QOMWVZHYSA-N	452.923	3.199	50	40	JGGB	
O=C(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	5028417	JUZFODOYRRBWHR-JOCHJYFZSA-N	477.473	3.154	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1	12490999	HAQQHZYMPLYOEN-UHFFFAOYSA-N	452.565	3.080	50	40	JGGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccc(OC)c1OC	20348259	VSVYFSVAGQXCCY-HXUWFJFHSA-N	479.558	3.319	50	40	JGGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc(Cl)c(Cl)c1	33469774	FTYPIPKUNDLMCD-ALSBQXBOSA-N	492.371	3.068	50	40	JGGB	
CCOc1c(Br)cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC	59427775	BJEWDGTVSVRREK-YSURURNPSA-N	491.342	3.107	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)ccc1OCC(N)=O	78546571	OKTAFDBIIZDNQA-RPPGKUMJSA-N	477.546	3.340	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccccc2)cc1	408922705	QXHNNBXFORBMLF-LFVJCYFKSA-N	453.520	3.137	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2Cl)cc1	409262263	GKCBOHUMYJPPBT-UVHMKAGCSA-N	482.924	3.279	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	2249175	RFGMHFCBLOQVRM-JOCHJYFZSA-N	452.555	3.124	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCC(=O)OC	8811169	FKKZMDIFRWCOPK-FOKLQQMPSA-N	450.875	3.072	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc4ccccc4c3O)nnn2-c2nonc2N)c1	9346011	LESPLWLVXIEPRW-MZJWZYIUSA-N	498.503	3.311	50	40	JGGB	
COc1ccc(CNC(=S)NNC(=O)c2cccc(NS(=O)(=O)/C=C/c3ccccc3)c2)cc1	9440812	AITCGNWNYQGTSO-CCEZHUSRSA-N	496.614	3.417	50	40	JGGB	
Cc1ccc(C)c(N2C(=O)C[C@H](NNC(=O)c3ccccc3OCCOc3ccccc3)C2=O)c1	9545822	JLOPTBCMTASGGZ-QFIPXVFZSA-N	473.529	3.328	50	40	JGGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)ccc1O	12275124	UGBZSKPNSYCGHT-GYCJOSAFSA-N	468.531	3.451	50	40	JGGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	25452540	UUFRUEUUCNHRHX-LLVKDONJSA-N	464.341	3.112	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)C2CCCCC2)cc1OC	34869196	KIVJDGHDQQHBPK-PCLIKHOPSA-N	473.595	3.486	50	40	JGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	58918267	MONVHFFRVNABGX-FYJGNVAPSA-N	458.521	3.310	50	40	JGGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c2ccccc21	107635997	WPYBRVCPEMXNNM-QPJQQBGISA-N	494.143	3.121	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(Cl)cc1Cl	408679280	DRCFURIIHJBWGK-QJPVEVLHSA-N	463.111	3.046	50	40	JGGB	
O=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408682165	JCGFEGKQBYDRFA-PJBUMPDVSA-N	469.335	3.126	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1cccc(C(F)(F)F)c1	408778014	OIAMRVPWVUPJSK-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408781898	FOGNXYIDKLVGAY-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1	409163894	ZFCVSNFINTWTNM-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	1090005	LQDUOIIZNUEHLP-SSDVNMTOSA-N	451.830	3.312	50	40	JGGB	
CCNc1nc(NCC)n2c(SCC(=O)NN(c3ccccc3)c3ccccc3)nnc2n1	3298986	KIPILESFXNCZDI-UHFFFAOYSA-N	463.571	3.345	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20211453	WWANGJOZNXNDTA-WSDLNYQXSA-N	472.350	3.071	50	40	JGGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc1	409258706	ZHNRCHNQSUBUBX-WSDLNYQXSA-N	464.316	3.431	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c2ccccc21	409338750	ADMMPSUNPOKYQY-UZSVZKDMSA-N	460.515	3.164	50	40	JGGB	
C[C@@H](c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C	9101758	ZEJARIBSWHWXIE-ZDUSSCGKSA-N	476.965	3.236	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(Br)c1OC(C)=O	20086269	YJEWNYANJIXDCV-GOSISDBHSA-N	496.317	3.453	50	40	JGGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1	107729650	ACLOOXPTEARDGD-FMCGGJTJSA-N	451.395	3.392	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCC(=O)Nc1ccccc1C	408607828	FCEOCMJXRSHSLY-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)NC1CCCCC1	409379528	XGBPLFMHKKKJSQ-ATVHPVEESA-N	476.371	3.043	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2CCc2ccccc2)cc1	923655	PQGBTURZYYTNAF-UHFFFAOYSA-N	488.573	3.145	50	40	JGGB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1	8819580	FNQWTXLBSQGXHJ-RGEXLXHISA-N	497.598	3.224	50	40	JGGB	
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	9119604	OWSBWOSYFQXHPN-UHFFFAOYSA-N	474.498	3.093	50	40	JGGB	
O=C(COc1cccc(Br)c1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21	9585062	QNLNXGNOOOSFNJ-UHFFFAOYSA-N	471.233	3.044	50	40	JGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1	13892779	QXCGBFPYMIOFIB-ZMOGYAJESA-N	461.316	3.226	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20212435	JRPZWLYIOCSPSQ-HAVVHWLPSA-N	467.975	3.362	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(F)cc1	59247036	OSLUIIZARCVCQE-MXAYSNPKSA-N	494.361	3.348	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)C(C)C)cc1	408757825	CSHKEBJAFZFJEK-IBUSPFOHSA-N	483.546	3.260	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2)cc1	408768592	YRIWLEIHMYEGOG-KOEQRZSOSA-N	450.564	3.407	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1	408772184	CBOXUDKWJMCTAG-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2)cc1	408859208	QWIVIRFFWYWDIQ-YZSQISJMSA-N	462.531	3.243	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)ccc1OC	409318982	ZGPKMLXTYZHGLS-YVNNLAQVSA-N	481.299	3.092	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1O	8451693	KHLFLXQQAWHMEJ-RSFOSLOZSA-N	472.350	3.011	50	40	JGGB	
O=C(COC(=O)/C=C/c1cc(Br)ccc1OC(F)F)NNC(=O)c1ccccc1	9585092	PMLOESVHKGWAHO-RMKNXTFCSA-N	469.238	3.068	50	40	JGGB	
O=C(NNC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1)Nc1ccccc1	12960247	RHRYCMJGGYHPSR-GFCCVEGCSA-N	456.812	3.164	50	40	JGGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1	16576837	SHVWUQIBZCVXEO-IRAGULNWSA-N	472.545	3.270	50	40	JGGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1	17373778	RHEHCYPWAQIQQD-QGOAFFKASA-N	484.559	3.346	50	40	JGGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	20348288	RPZMINMPNASFPD-IBGZPJMESA-N	464.503	3.210	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	58881757	YGXQWSMYKSJRAQ-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	58918439	MYGKAHDDWOBMFP-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OCC(=O)O	408912233	MMGDZZNAHRCNDA-LSFURLLWSA-N	465.300	3.067	50	40	JGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(I)o1	408953060	ODTMBOPAUYGVQR-SOFYXZRVSA-N	494.039	3.084	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])c1O	1088984	AZLUCWLWGHVTRE-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c1C#N	6177750	RAENPHCVRQANIL-OPEKNORGSA-N	479.449	3.114	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1Cl	16479492	QWURPYIPYLVLSM-CVKSISIWSA-N	499.976	3.452	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	20493143	QQYXQLZNYVSBAW-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1	408861601	DKFRJFHOANDLBP-VUTHCHCSSA-N	486.572	3.325	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1OC	408879321	DFNSIGNJPJTFIH-HYARGMPZSA-N	459.549	3.111	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409170071	SJJOZZAQGSDXGW-LUOAPIJWSA-N	484.862	3.353	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c(OC)c1	10002323	LEEVCUHJXMULTN-XHEHIBSSSA-N	468.554	3.175	50	40	JGGB	
CN(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1	16186971	OTLBCBKDIJLLOL-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)ccc1O	16688782	YCESUPLCAAKTBV-LFVJCYFKSA-N	453.520	3.380	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	19956962	VNSPVKVIHZSVOX-PCLIKHOPSA-N	465.531	3.342	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cc1	28581786	FEHILVIFGIETLY-UHFFFAOYSA-N	481.530	3.032	50	40	JGGB	
CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)CC1	408678191	CTAQDQOCZUFLMV-UPGMHYFXSA-N	461.356	3.068	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	408745691	UZULOUPXTYBAFL-LVWOJMJRSA-N	468.922	3.191	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	408779993	PJUMWYUYJXLGIS-ZVHZXABRSA-N	457.474	3.411	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1OC	408872472	DZPRULVRJCOETL-MFKUBSTISA-N	484.578	3.028	50	40	JGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1	408910671	XPYDVFJJPLYSEB-YXUUZYBBSA-N	478.343	3.361	50	40	JGGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408992936	VDQFCMVGACXJSW-MLVHTHFLSA-N	463.538	3.432	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1C	409062080	NBKYMAQOSWSDBR-RWPZCVJISA-N	495.499	3.492	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)nnc1-c1cccc(Br)c1	2318909	IQZSVHFBSHPAFS-QGMBQPNBSA-N	481.357	3.457	50	40	JGGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	19952358	YZIZESDEEDFWRS-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1	58882213	OLJGBJVECYSUDH-DHRITJCHSA-N	495.879	3.355	50	40	JGGB	
O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1	408672941	PMFPCBPIIARKCI-LPWJVIDDSA-N	478.568	3.201	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(I)cc1	408781823	FBXHYHMHPSAMKX-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1	408838066	RBTRQMUPQKYVHK-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409150250	BAIQCAMCWYQNBF-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)c1	409154560	KJQREXSYVXGLAQ-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409259099	WMZPSNFLEUGIOU-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1	12371162	ASZQVECYKUIFRA-SERGHYIJSA-N	487.512	3.412	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1	13133438	XETGSYZHSZMELL-LFVJCYFKSA-N	453.520	3.293	50	40	JGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccccc21	16487713	NQHQIKIZIMJUKA-UHFFFAOYSA-N	468.922	3.008	50	40	JGGB	biogenic
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	20059304	NMCVHWMUCKRORW-BUVRLJJBSA-N	451.504	3.115	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408611939	SNWXMXRXCJVRTJ-LHSRNITLSA-N	450.322	3.318	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1cc(Cl)ccc1Cl	408683455	LHQASUSXXKLWGX-IDNXRVBGSA-N	463.111	3.046	50	40	JGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	409003745	UPQQTCCOGMRHGY-HIDRHVPLSA-N	469.929	3.450	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1	409263129	AEMMUFCTXAZKOG-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1	2427824	PIQXQLGBRCOKOG-GFMRDNFCSA-N	470.371	3.049	50	40	JGGB	
Cc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	8819634	CVQCIIPXVQVFOP-UNOMPAQXSA-N	483.571	3.166	50	40	JGGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc12	9381722	MYKSZQJQZWONQG-HUUCEWRRSA-N	460.581	3.160	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1	9424355	VFWNNFWLGFBKAO-KEBDBYFISA-N	475.328	3.395	50	40	JGGB	
O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccccc1	20074649	JBZXZGLETSVYAR-CAOOACKPSA-N	492.054	3.365	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1	408737429	AJFMZHOPOUATQN-REZTVBANSA-N	490.051	3.431	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)ccc1O	1089393	FATDXRHMMLQZCX-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccc(O)cc2)C1=O)=C\c1ccccc1	8820656	HYWKWRKKDMIOSS-UJUKKVGJSA-N	453.545	3.001	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(C(C)C)cc3)nnn2-c2nonc2N)c1	9345049	PCQHWRKXULJXOF-DHRITJCHSA-N	460.498	3.186	50	40	JGGB	
N#C/C(=C(CS(=O)(=O)c1ccccc1)\N=C\c1cccnc1)S(=O)(=O)c1ccccc1	9972250	VZHWPSYBDYXCLZ-OLBSWMCVSA-N	451.529	3.183	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408769309	QSGIOSWXMYLICB-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(O)cc1	408789946	SUKSAUPCHSCSGU-KPKJPENVSA-N	464.215	3.006	50	40	JGGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c1C	409171108	YUOJOSLZSJLEBW-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	409253808	GWMIODCEVBPQHL-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	409260465	QOXZAKVNWSDQKM-BTIIEKFUSA-N	495.363	3.384	50	40	JGGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nc2ccccc2c1=O	1295640	DFPLOCSMJDBUSF-DHRITJCHSA-N	460.515	3.348	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CCN2CCCC[C@@H]2c2cccnc2)cc1Cn1cc([N+](=O)[O-])cn1	8971263	GCXCXEPIEQZRDE-VXYCCBPDSA-N	491.552	3.311	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc3ccccc3nc2Cl)S(C)(=O)=O)cc1	9056578	JXPDKAGCFMGHSG-WQEJZQBCSA-N	460.943	3.202	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(Cl)c(Cl)c1	9233028	SMEUOJGTTGFTDO-ODCIPOBUSA-N	463.310	3.422	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NNC(=O)c1ccccc1Cl	9442649	ULWCLGXTTJLZOB-UHFFFAOYSA-N	457.939	3.202	50	40	JGGB	
O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)NNC(=O)c1ccccc1	13857186	MBLNBXJNMQLQGW-UHFFFAOYSA-N	491.456	3.354	50	40	JGGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)O1	14907487	NKLHRXFIFRQHHT-OKILXGFUSA-N	457.474	3.260	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	19956953	KAKIXFUTXCSDNA-HZHRSRAPSA-N	452.492	3.325	50	40	JGGB	
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NC[C@@H]4CCCO4)cc3N2)cc1C	20613830	BFEAXHOGVSHWQR-LZLYRXPVSA-N	496.559	3.448	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)cc1	20763861	DNILQKKGETUQDN-RGVLZGJSSA-N	454.264	3.471	50	40	JGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58915740	KWVYZGPCOLRPMP-SSDVNMTOSA-N	453.282	3.267	50	40	JGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	59960321	QOVCRKNPBIRQOR-DVQSINOTSA-N	488.544	3.349	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(OC(=O)c2ccccc2)cc1	408688682	WOWWBRRLTPUQBH-JXYJOFSCSA-N	499.313	3.203	50	40	JGGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl	408785676	AOACDMYAMHRWRB-KSEXSDGBSA-N	495.344	3.154	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1	408869209	RGJBCSJLLVGDGG-PCLIKHOPSA-N	467.547	3.191	50	40	JGGB	
O=C(N/N=C/c1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408970744	CYEISJDFJXWNEO-LPYMAVHISA-N	468.348	3.139	50	40	JGGB	
COc1cc(Cl)c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC	408992210	SJSASHMUVMMQRQ-KYEFCJKTSA-N	485.928	3.068	50	40	JGGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3cc4cc(OC)ccc4nc3O)c(C)c(C#N)c2=O)cc1	409058042	RZWFMADGPBJEIL-MUXKCCDJSA-N	482.500	3.001	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1OC	409146624	RQUQARVQRRSOOI-UFFVCSGVSA-N	482.274	3.120	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccccc1	409240963	MKMUKAIPUXRAGT-NVNXTCNLSA-N	491.285	3.371	50	40	JGGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1	409318505	YLPIXGYKZTYNKR-HOTGVXAUSA-N	487.361	3.426	50	40	JGGB	
COc1ccc(S(=O)(=O)NNC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	721954	UYEPKHOEKPMGKF-UHFFFAOYSA-N	481.357	3.248	50	40	JGGB	
O=C(CSc1nc2ccccc2s1)NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	9283327	ZXCNPYXGJQKZDT-UHFFFAOYSA-N	469.592	3.480	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	20493141	BONGFRUDVUJMPG-MFKUBSTISA-N	481.530	3.160	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	58913657	NFJGRSQDZTWPTJ-CVKSISIWSA-N	462.506	3.368	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl	408610519	NOKSNQNIKZRWGT-YUBWEHNGSA-N	480.348	3.326	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1	409158240	KSFUEMSOVSMOJE-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1	409168565	MRYYCFZTAVOXJI-UVHMKAGCSA-N	464.444	3.089	50	40	JGGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1	8451220	PJCYXEVDLUFFCT-OAQYLSRUSA-N	474.542	3.478	50	40	JGGB	
CC(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C(N)=O)cc1	13142140	DOKGMYXRWUTIJR-CXSSSTRGSA-N	484.625	3.070	50	40	JGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccc(Br)cc1	58912273	NWGUUDGGRWFKHQ-BRJLIKDPSA-N	454.328	3.018	50	40	JGGB	
N#CC1=C(SC[C@H](I)CI)N2CCC[C@@H]2N=C1	100710136	OBZXHUYALZOGJW-NXEZZACHSA-N	473.121	3.200	50	40	JGGB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O	408647327	WXEFUWQWTLPBRD-CYBMUJFWSA-N	450.720	3.225	50	40	JGGB	
O=C(N/N=C/c1cc(I)c(O)cc1O)C(O)(c1ccccc1)c1ccccc1	408747555	PMHGHSJWPITXOX-YDZHTSKRSA-N	488.281	3.089	50	40	JGGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408857594	VEEGSUAAXXHOOY-FBHDLOMBSA-N	478.242	3.353	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)c1	409153293	MPNDQLIUGXUJPV-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)ccc1OC(C)=O	409219893	RIWYZXQQXSNJAL-MXAYSNPKSA-N	493.428	3.217	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21	409352890	ZFWHBNYFLAIOJT-XTCLZLMSSA-N	482.949	3.032	50	40	JGGB	
CC(C)(C)OC(=O)N[C@H](CC1=CN[C@H]2C=CC=C[C@@H]12)C(=O)N/N=C/c1coc2ccccc2c1=O	2404905	ORARIHUMNRZCOK-QAUHPOLQSA-N	476.533	3.124	50	40	JGGB	
COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3ccc(Br)o3)s2)c1	2631998	AWVXQTKPHJCLDH-UHFFFAOYSA-N	484.357	3.199	50	40	JGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c1	20208448	URUGUCUYIMTLIC-YDZHTSKRSA-N	470.507	3.388	50	40	JGGB	
C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1	101915697	DWFABGMGTSVDRG-UYGOBVSSSA-N	498.215	3.030	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1	408784139	SITXKFMIFSKSOA-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)cc1	408922843	GTZAGWFUFYFDPD-MFKUBSTISA-N	497.529	3.194	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1Cl	408944700	JJZKAKRJQUFZFJ-OAQYLSRUSA-N	486.981	3.225	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OC	408968779	ZBJZFMRUXLCLRJ-LSHDLFTRSA-N	467.238	3.473	50	40	JGGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C#N	409008344	WFIYLSRCWIXQRG-WYMPLXKRSA-N	468.539	3.159	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2Cl)cc1	409156762	UJUSEJCGJWWULV-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1	409159994	OUULSEILKUBMHP-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(Cl)c1	409262462	DZJHBWXZDYZDGW-UVHMKAGCSA-N	498.923	3.116	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(O)c(O)c(Br)c1Br	1429152	QSRHOJZLUXMKPC-FBCYGCLPSA-N	474.105	3.161	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3ncsc3c2)c1	3335719	CFAIDKBBZJTNQX-UHFFFAOYSA-N	482.543	3.181	50	40	JGGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccncc2)C1=O)=C\c1ccccc1	8820604	BRSIXOMACUPIEA-GDSPCTNTSA-N	466.588	3.471	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1[N+](=O)[O-]	9054593	SDEQLHMBRJEAGI-UHFFFAOYSA-N	451.435	3.136	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)cc2)cc1	9373404	AAPYCBNUNSXJMU-LPYMAVHISA-N	456.480	3.081	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1Br	20214108	ZIKVGBGZLLGKSH-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)/C(C#N)=C\c2ccc(OC)cc2)ccc1C	33536462	VVVKPRSPXAQBIK-UYRXBGFRSA-N	485.562	3.123	50	40	JGGB	
COc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O	36020515	VMBLSCHPZRFLIE-BZGQBJAUSA-N	466.475	3.292	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1	59921366	RORFKEQNDJOZBC-HYARGMPZSA-N	480.384	3.009	50	40	JGGB	
Cc1cccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	100591067	UNCGHKOJAIRPRK-ACPOTZPVSA-N	484.188	3.100	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	408874076	YCSLNRXNPAHNNB-FYJGNVAPSA-N	468.373	3.154	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I	408968568	XJLPKNGFQYOWPL-AUEPDCJTSA-N	495.248	3.008	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409152944	GSYIQSXKTCSXKR-KBKYJPHKSA-N	495.363	3.242	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3cccc(OCC)c3O)cc2)c1O	695848	WGWPVQAZSWWZCR-DPCVLPDWSA-N	490.516	3.423	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)c1O	1477867	BNQFOROPZHAIGJ-ZMOGYAJESA-N	485.566	3.329	50	40	JGGB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1/C(=O)Nc2ccc(Br)cc21	2632435	DYXNVRHAFMLLIM-UHFFFAOYSA-N	466.217	3.290	50	40	JGGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nnn2-c2nonc2N)c1	9480290	JMBPAYNXKVXXJM-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)sc2c1	17122181	INGFIUKWMWBORD-GASCZTMLSA-N	460.581	3.160	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1OC	20059272	JFYHTIOKEMFGEK-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1OC	36075322	DHAQXGFCLAGWMU-VULFUBBASA-N	489.488	3.408	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1	58881195	VBXVTAICKKYJGQ-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	408874492	CPHAFPVGGVFANL-ZVHZXABRSA-N	486.481	3.088	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\C(=O)N(C)c2ccccc21	716786	HVXZFQPZXBUSPV-JWGURIENSA-N	497.143	3.096	50	40	JGGB	
CN(Cc1c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N)C1CCCCC1	9308077	RCPKZROLPXTQBW-LQKURTRISA-N	499.579	3.428	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)ccc1O	20240515	RROFPWGVDNPFLZ-MTDXEUNCSA-N	474.561	3.496	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1	27022457	BIFXQVZHRCJXDO-CURYZJDOSA-N	490.585	3.457	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)cc1	33462926	JOGJKYFCLBCDHL-RELWKKBWSA-N	485.587	3.420	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC	408534192	VHCJULDPEDXDCK-JQAMDZJQSA-N	473.835	3.481	50	40	JGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1	408910666	XPYDVFJJPLYSEB-WQGFDPGOSA-N	478.343	3.361	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1	409263730	BTHSOOCJOJAUTQ-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccccc2Cl)C1=O	1304768	UAATYXOYPFJOJQ-ATVHPVEESA-N	475.979	3.401	50	40	JGGB	
O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NNC(=O)c1ccc([N+](=O)[O-])cc1	2631156	ZLYNJOYXIFGAHD-UHFFFAOYSA-N	476.470	3.490	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1OC	2768358	CFAXAVHGZUCBQB-LDADJPATSA-N	462.506	3.377	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	6906904	PLGDQPZCMXQJAV-QHCPKHFHSA-N	490.472	3.436	50	40	JGGB	
CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cccs2)c1	9911152	SKINAOPZXAJWKE-UHFFFAOYSA-N	455.989	3.430	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	14921546	NSUMQIKSKJTHCJ-WPWMEQJKSA-N	460.490	3.392	50	40	JGGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C)cc2)cc1	20232261	VQSIXDJJODSRPC-BUVRLJJBSA-N	454.577	3.458	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O	105585933	ADRNUKKSFNBSID-XQNSMLJCSA-N	468.491	3.036	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	109859604	DNKXKXJTGYNEOH-FEGPCZTRSA-N	497.511	3.171	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408781977	UWDKMZCYHBORRC-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1	409159689	WHLRZBHDFWNITA-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409257193	OUWKDPSCQLGJJK-FCUAXUHVSA-N	474.945	3.039	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409270641	GOXNALWJYLFTOG-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1c[nH]c2ccccc12	408732347	UVHBQDMJBFBJDK-FOKLQQMPSA-N	483.351	3.727	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccc(O)cc1O	408732476	VLTCDLNCHYXBOM-AWQFTUOYSA-N	491.327	3.049	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	408789076	IXTQRBFPWKFQDE-MFKUBSTISA-N	465.531	3.323	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1	408863234	MFZBLPDAHHINTD-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1	409169275	PEKRNVBKGQDWIY-LGJNPRDNSA-N	488.972	3.293	50	40	JGGB	
C[C@@H](C(=O)N/N=C1/C(=O)N(C)c2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409350375	XZOVOWFSHPDMHA-XKLROMNWSA-N	492.557	3.130	50	40	JGGB	
COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc1OC	987608	FEUYVYFJTVDZHK-MRXNPFEDSA-N	454.284	3.470	50	40	JGGB	
Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1	2276237	LJBMFOIWMDKGPE-JVCXMKTPSA-N	490.947	3.211	50	40	JGGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3c(Cl)cccc3Cl)nnn2-c2nonc2N)cc1	2396168	MJMLNKPJGLMCGA-NUGSKGIGSA-N	457.281	3.279	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1	2765414	RCWPOIRCOYQDLH-UHFFFAOYSA-N	476.558	3.478	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	19955714	CLYOYDXFQGCHBG-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	20499702	UHLFGUSPQIFBTJ-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)ccc1OCCC(C)C	62613448	CQFZFIOQHIQZHX-UHFFFAOYSA-N	483.974	3.220	50	40	JGGB	
Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	101873243	KIYFNBKONQMDDJ-ZCDUJVAYSA-N	484.188	3.100	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)NCc1ccccc1	409254269	IECZLQPZUJLBRD-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409302876	LGZGMVIQQCVHMQ-PMACEKPBSA-N	491.997	3.222	50	40	JGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1	409305890	XQMXHIKVLIOKMN-LEWJYISDSA-N	480.542	3.332	50	40	JGGB	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1	12756540	PZBUGRALERWLMM-QHCPKHFHSA-N	470.485	3.149	50	40	JGGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	28215111	XBZOLQDANMEOHS-IKHKQLAESA-N	488.569	3.089	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(C)cc1	59246840	NTPSVVNFBZLMGV-CFRMEGHHSA-N	476.371	3.127	50	40	JGGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1	408731900	QOJFPDLAGUVRRP-AWQFTUOYSA-N	482.360	3.241	50	40	JGGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)O	408980208	PVIHZVHKLPAGAN-WTFDWONZSA-N	475.501	3.170	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccccc2F)cc1	409004480	DBOUYEBPHPALGZ-LGJNPRDNSA-N	483.521	3.204	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(Br)c(O)c(Br)c1	409099103	QFUOFTPHTZJFRX-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1	409204873	CYRUHGDYWNBUOM-OUQXZNHLSA-N	485.382	3.228	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(Cl)cc1Cl	409262923	KRQLNJMQHXDHNY-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1	3444937	ANTZKOKTMOVFNF-UHFFFAOYSA-N	483.937	3.499	50	40	JGGB	
COc1ccc(/C=C/C(=O)N[C@@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)C(C)C)cc1	8824099	QUBCURKYQYBQSO-XOJVXBCLSA-N	474.517	3.234	50	40	JGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Cc3ccc4c(c3)OCCO4)cc2)n1	9222138	YTKXVGATURQZJT-UHFFFAOYSA-N	464.547	3.161	50	40	JGGB	
COc1cc(-n2c(NNC(=O)C3CCCCC3)nc3ccccc3c2=O)cc(OC)c1OC	12862005	IETBADRKJLNEKE-UHFFFAOYSA-N	452.511	3.435	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	19950327	WWMLYDCRWPBIEP-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OCC	20214143	OPBACBPAXSFVMR-LPYMAVHISA-N	498.399	3.163	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc(Oc4ccccc4)c3)CC2)cc1	30743223	UOBVICURNZSNHQ-DIBXZPPDSA-N	492.601	3.244	50	40	JGGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	408785516	GSJUIASZBYEPDP-KSEXSDGBSA-N	495.344	3.154	50	40	JGGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408962408	RNFAEQPRXPOOEW-QNGOZBTKSA-N	481.556	3.247	50	40	JGGB	
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	17518541	XZKZUVSEKAXQIL-UHFFFAOYSA-N	462.476	3.451	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	58881485	IPJLGEKZCRLNFI-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Br)c(OC)cc1OC	408609317	ZIMCTQRMLHXCTG-HNNXBMFYSA-N	465.329	3.024	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1Cl	408741226	KRZWGDGYAWFCGB-WAXRZFIUSA-N	469.737	3.427	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1	409151890	HXCWMFOVBWQUMI-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccccc1F	409243887	YOJYOLUJYFOVPQ-MLPAPPSSSA-N	495.248	3.120	50	40	JGGB	
COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NNC(=O)c2ccccc2O)cc1	906853	LZWRPQAFYVWWGP-UHFFFAOYSA-N	489.557	3.126	50	40	JGGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1	16491745	RLKBKRQYYYOHQE-UHFFFAOYSA-N	452.536	3.478	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccc(OCC(N)=O)cc1	20457636	FDXURYAZLDTIQJ-QGZVFWFLSA-N	456.289	3.466	50	40	JGGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1OC	40486398	OURACXHQSBRIMW-LEWJYISDSA-N	483.521	3.334	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408771450	ICNCTPLHUONHBQ-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(C)C	408985164	ABBIIESELQXUQT-VVGVENEYSA-N	493.564	3.441	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1[N+](=O)[O-]	409019012	VERRQHSADPTBHG-KTCKORJGSA-N	470.526	3.280	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409158956	MDMXCRWFLOFFSJ-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2C)c1	2726947	FBZXMWFPKDGMHA-UFFVCSGVSA-N	476.356	3.201	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1cccs1	3117936	XTNDEUAPPDJLCX-LGJNPRDNSA-N	469.494	3.385	50	40	JGGB	
C/C(=N/NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1)c1ccc(OCc2ccc(C(=O)O)o2)cc1	8816352	RNDGOAMNADVTST-ZDXHCBJDSA-N	455.427	3.071	50	40	JGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c23)C1=O	16693822	BEXDTSOWUPQAFR-HMAPJEAMSA-N	462.465	3.233	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cc(Cl)ccc2C)cc1	20207004	RVBTWODRIIHSPA-UHFFFAOYSA-N	463.003	3.350	50	40	JGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	408826719	CPLJSTICOHFACH-NLRVBDNBSA-N	464.547	3.381	50	40	JGGB	
CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409009909	ALJKJBSSGBMTIU-LSHDLFTRSA-N	452.280	3.474	50	40	JGGB	
O=C(COc1ccc(F)cc1)NNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl	1331294	PDPNCQDJEUMNBB-UHFFFAOYSA-N	467.892	3.462	50	40	JGGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@H]2c1ccsc1	3669883	VLTQMVWQPPLPID-LJQANCHMSA-N	454.577	3.336	50	40	JGGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc(OC)c1OC	9014436	NFSGZOAPIFJSJF-KRWDZBQOSA-N	467.547	3.101	50	40	JGGB	
CCOc1c(Br)cc(C(=O)NNC(=O)CSc2ncnc3sccc23)cc1OC	13140074	UFWLWNYNVLFBMB-UHFFFAOYSA-N	497.396	3.414	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	36101831	ILIXLNWUYIAYOF-ZEQRLZLVSA-N	459.527	3.429	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	58884337	WWMXLAOWIUFWGI-VSWHYLHOSA-N	462.481	3.171	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccco1	408764310	MDWBYTPUNXXTTE-RGVLZGJSSA-N	494.279	3.482	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	408873830	XFAPUCKCXOKYFW-MZJWZYIUSA-N	496.907	3.129	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)cc1	409026976	LTDUPUJUSQSQIV-PCLIKHOPSA-N	467.547	3.309	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1	409253633	XPGHIHBUKONXBD-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1)NC[C@H]1CCCO1	636872	ANRDMFPNLUXPFW-IBNQTYSGSA-N	480.348	3.197	50	40	JGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c1	1800462	IRTUOWDGVOPGHR-UHFFFAOYSA-N	486.160	3.434	50	40	JGGB	
O=C(CCC(=O)NNC(=O)COc1ccc2ccccc2c1Br)NCc1ccccc1	8398848	HRALBRKYWLSDCN-UHFFFAOYSA-N	484.350	3.225	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2c(Cl)cccc2Cl)cc1Cl	16187219	GRTJTOCSUCCCNF-NKVSQWTQSA-N	464.758	3.426	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1OC	20060922	YFWHLXWXTJQJSW-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
CN(C)CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3o2)c2cc(Br)ccc21	20264226	KHMBCCTVVWJIFX-HKOYGPOVSA-N	488.367	3.069	50	40	JGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)c(I)o2)c1	34701685	VWCDZIBYGUFMSJ-REZTVBANSA-N	476.068	3.369	50	40	JGGB	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1cccs1	59419141	JDKSTCDZDQWQSC-GIDUJCDVSA-N	498.083	3.427	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408772230	FKYJGPVRUJGVAP-YZSQISJMSA-N	480.590	3.415	50	40	JGGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Br)c3)c(C)c(C#N)c2=O)cc1	409060674	SONAOWDZLDJRBI-MXAYSNPKSA-N	480.322	3.338	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409165324	WIVZZHJUAOYYPC-KKMKTNMSSA-N	488.972	3.205	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)nnc1-c1ccc(C)cc1	1474306	RIEHUYOPPPJKKE-ZMOGYAJESA-N	467.551	3.450	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2C[C@H](CCl)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2CCl)cc1	4991135	XMRJELMRPKHYCS-ROUUACIJSA-N	491.462	3.213	50	40	JGGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc(I)o1)CO2	8721730	VNGDKUDULYLGRP-CIYLQVQQSA-N	454.264	3.472	50	40	JGGB	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	12684231	YUQGUQYACKKYBW-UHFFFAOYSA-N	475.332	3.473	50	40	JGGB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)CC2)c1C	16073561	ZKABNKCVDUNLTG-UHFFFAOYSA-N	496.633	3.192	50	40	JGGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	19926322	CEQLHYSLSJSDLY-ZMOGYAJESA-N	471.922	3.414	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)Nc1cccc(Cl)c1	58880713	YGANPDBMPZRPKE-MFKUBSTISA-N	456.930	3.210	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1O	408839398	ROYPQEWOTLXDKP-VULFUBBASA-N	479.489	3.443	50	40	JGGB	
COc1cc(Cl)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408869737	SYSGNSJPEWQGLR-UXHMZNKVSA-N	486.377	3.314	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc(OC)c1OC	408999613	VDIAQCJUBQEEMF-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)cc1Cl	409152772	GHFPFOMBIVBROY-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1	409183969	HDYYSYCNXHOQOL-UFFVCSGVSA-N	482.274	3.091	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409250636	NHVGHXMFMITQRE-KKMKTNMSSA-N	498.923	3.034	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	409258107	RJQWGJVMLZKRND-FCUAXUHVSA-N	474.945	3.039	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1	409261380	BBKYBCGHARIERQ-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C#N)[C@H]1c1ccc(Cl)cc1	634226	VAMXNSAQFSUZDS-XSORJCKLSA-N	451.338	3.168	50	40	JGGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1	59490194	VNZRWWJJHBGFJT-CVKSISIWSA-N	483.521	3.251	50	40	JGGB	
O=C(N[C@H](C(=O)NN=Cc1c[nH]c2ccccc12)c1nnc(O)c2ccccc12)c1ccccc1	252678343	FDJHOPQTBYUPKU-QHCPKHFHSA-N	464.485	3.438	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)NNC(=O)c1ccccc1Cl	408643964	CJXCAYUWRQPWHR-UHFFFAOYSA-N	485.846	3.472	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1	409254371	YZQRDUVJHMWRFD-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409260957	ZASQTVXJBUNAIH-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc2c(c1)OCO2	1434992	PBYUXACDNPPVJE-IFRROFPPSA-N	486.116	3.478	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CSCc2ccccc2)c1	9366394	ZWCBWGXDSPEJHZ-UHFFFAOYSA-N	485.587	3.190	50	40	JGGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)COc3ccccc3C#N)c3ccccc3C2=O)cc1	9493361	DNGFIRDPSJTLFO-JCMHNJIXSA-N	452.470	3.094	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc2ccc(OC)cc2nc1Cl)S(C)(=O)=O	20210516	OEKFHVRWKBADJH-ZMOGYAJESA-N	490.969	3.212	50	40	JGGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5cc(Br)ccc5O)[C@@H]43)[C@H]12	245241397	CRVRIWAGIWPONO-LINFNCPDSA-N	480.361	3.092	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCc1c(Cl)cccc1Cl	408601920	CIFYODPIPDODGS-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)cc1	408746813	VYQJXELIDNCWSR-WDZFZDKYSA-N	465.203	3.459	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1Cl)Nc1cccc(C(F)(F)F)c1	409265813	PKDPNRDBVPGAPE-NSKAYECMSA-N	482.846	3.105	50	40	JGGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1	409325887	CIBDHGPSMGFHPE-FQEVSTJZSA-N	461.543	3.130	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(N)=O)=C(C)N1	4019873	LHSMRFIKDPTZGK-IBGZPJMESA-N	458.927	3.495	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccc3Cl)nnn2-c2nonc2N)cc1	9424948	NOELTQKABWKRFF-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
C/C(=N\NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2	13100720	XQWOLFFWRLORQA-WPWMEQJKSA-N	454.486	3.370	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1)NC[C@@H]1CCCO1	14166112	NPYCGQCNBPTNNH-HTHFWCIQSA-N	475.998	3.398	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	19955530	VEHPAPNDFABXMR-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1O	20060949	MZRLUFWUBDLJGC-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
O=C(NNC(=O)c1cc(I)ccc1I)c1cccs1	32118669	KVJZEPOJIAXFAB-UHFFFAOYSA-N	498.083	3.032	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1	58873584	VWUFKPWLNQCFCA-CCVNUDIWSA-N	482.899	3.263	50	40	JGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	59332956	RCPNUGFDKRDDFJ-AQTBWJFISA-N	484.350	3.257	50	40	JGGB	
BrC[Sn](Br)(Br)CBr	195774362	HYGSUFJSYNOXSM-UHFFFAOYSA-L	466.381	3.087	50	40	JGGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1	409259581	AYBDUJVPUHBAIV-RDRPBHBLSA-N	488.544	3.259	50	40	JGGB	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	1632578389	PGHXWCUZZFPOEH-HNNXBMFYSA-N	457.412	3.003	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccs2)cc1	6973850	LACNGUSNWRXXCM-XQNSMLJCSA-N	457.577	3.140	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1C#N	8743620	IGKPCNLXCALMIF-OPEKNORGSA-N	463.450	3.414	50	40	JGGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)cc1OCC	9019702	JBBAMCDEKXZQAU-OAQYLSRUSA-N	458.511	3.452	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(Cl)s1	9235740	ULXPUZAUOOTLIG-UFFVCSGVSA-N	474.959	3.394	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2ccccc2-n2cccc2)nnc1-c1cccs1	9339046	YMOWFYZPPJUHCR-UHFFFAOYSA-N	452.565	3.371	50	40	JGGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)COc3ccccc3C#N)c3ccccc3C2=O)cc1C	9493362	UDMFQGTYKODELZ-HAHDFKILSA-N	466.497	3.403	50	40	JGGB	
CC(C)C(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@@H](C)CC4	13502544	OAMPUFDYFWGASJ-LBPRGKRZSA-N	460.629	3.483	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1	19950707	RUYAWNOKOKCLQW-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1O	19951652	SXKVRINBENVKKP-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1COc1ccccc1C(N)=O	32578313	WFXXEAULVULCQX-ZMFRSBBQSA-N	462.462	3.354	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCc1ccc(C(=O)O)o1	33601234	WTJPGDGITHTVHA-MXAYSNPKSA-N	467.478	3.161	50	40	JGGB	
COc1cc(C(=O)NN)cc(I)c1OCc1ccc(Br)cc1	226328964	HHLSVYLGVATGRQ-UHFFFAOYSA-N	477.096	3.245	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccccc1	408779375	DJZHHPDESZWFDE-PCLIKHOPSA-N	467.547	3.309	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c(OC)c1	408866292	HDVDZJBQQBZIOC-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC)c(OCC)c3)[C@H]2C1	1298718	NIQAXCHQFHHGOT-SIKLNZKXSA-N	461.522	3.366	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	2176224	CNLWRCSUWGPFIA-MFKUBSTISA-N	455.511	3.321	50	40	JGGB	
C[C@H](C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1C(=O)c2ccccc2C1=O	9662875	ATKQJAZKFZTKBP-OAHLLOKOSA-N	499.552	3.301	50	40	JGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)cc1OC	12276093	RFZHAZSNWCLFOV-UPCLLVRISA-N	468.531	3.364	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O	20207527	NWODGSDRKIRRBQ-PCLIKHOPSA-N	451.548	3.490	50	40	JGGB	
O=C(NNC(=S)NCCCN1CCOCC1)c1cccc(COc2cccc3ccccc23)c1	33580392	DVPUIYOIAYSQNA-UHFFFAOYSA-N	478.618	3.250	50	40	JGGB	
Cc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(C)n1-c1ccc(F)cc1	59639052	HEBAZAJXBBZQSR-KKMKTNMSSA-N	472.484	3.365	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(Br)cc2)C(C)C)cc1	408756383	UULLWTDEMUOHRI-AGKWGAAGSA-N	452.374	3.211	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1	408816680	JZSORCFYLARFIX-AUWJEWJLSA-N	493.257	3.440	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(F)c2)cc1	409113403	FVAUFTDICSAREX-YZSQISJMSA-N	469.538	3.218	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409253122	ARRFZWQVPGGLJN-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1	409267234	MQUQEIBHNMQGSF-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(CSc1nnc(-c2ccccc2O)n1Cc1ccccc1)NNC(=O)Cc1ccccc1	1223751	OFHBKTHTPICUJX-UHFFFAOYSA-N	473.558	3.181	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1	8411504	BEWXKIPKSQXURN-ROUUACIJSA-N	452.312	3.331	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc(Br)cc1	8820288	DWKWTSRJPRTUGV-GXDHUFHOSA-N	480.365	3.095	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O	8820531	QNHRCWSNBHNNCL-JXLMVQBASA-N	467.572	3.391	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1C	15229531	JAOXAIRNSPBAPC-XLNRJJMWSA-N	471.561	3.212	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1	19950869	OZTZXCUMMSSWHJ-PCLIKHOPSA-N	481.530	3.129	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	20061163	VHLNWPHSCOGSSV-YSURURNPSA-N	491.875	3.062	50	40	JGGB	
COc1ccccc1NCC(=O)NNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl	32883645	BLNPGBHKRJOYTM-UHFFFAOYSA-N	462.337	3.428	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408782647	IHEAUTPLSPLPIH-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(OC)c([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	8442040	HLXJRGIADUBUFF-PZJWPPBQSA-N	461.522	3.364	50	40	JGGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cccc(Br)c2)cc1OC	16137114	XOXYCHZLZMZMOC-ZVHZXABRSA-N	462.344	3.321	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O	16688773	WKXJAGRZJUQRSZ-NLRVBDNBSA-N	481.574	3.175	50	40	JGGB	
O=C(NNc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1	19630252	ABKCTPMHAAARBF-LBPRGKRZSA-N	453.351	3.298	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20211932	BENHMZUHSUVWCE-WPWMEQJKSA-N	482.537	3.384	50	40	JGGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	20348290	RPZMINMPNASFPD-LJQANCHMSA-N	464.503	3.210	50	40	JGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3OC)c2C)cc1	58913598	DSJIMXCYFYTBFU-AFUMVMLFSA-N	450.495	3.209	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3nc(C)cc(COC)c3C#N)o2)c1	59427761	FYBRYMSGHKEMFB-UVHMKAGCSA-N	476.489	3.374	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	107589289	LURSGNZXLCOTPY-WSDLNYQXSA-N	494.285	3.093	50	40	JGGB	
Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)C2=O)cc1	408536485	RQPMMBPZHMIRAP-SQEMJAKJSA-N	497.511	3.171	50	40	JGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cccc(C(=O)N5CCCCCC5)c4)[C@@H]13)[C@H]2Br	408680824	GZVDYJZGXYPDAZ-KSCVBYKOSA-N	461.356	3.212	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	408767782	OECBTGHOYKVARG-HAVVHWLPSA-N	452.492	3.331	50	40	JGGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409227224	YEVYVFLMCGQVOC-QRVIBDJDSA-N	464.390	3.495	50	40	JGGB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)c1	12274868	XKASLCYTEXKTGI-QGOAFFKASA-N	473.551	3.277	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C\C=C/c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	85886354	LOLLBPPCWUFRJZ-NQRPFCFGSA-N	451.486	3.210	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(N)=O	409266978	ZNBNXJWGUFZQHI-AFPJDJCSSA-N	454.708	3.129	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1cc(Br)ccc1O	1920483	FCMIOHLAKPLGMD-KEBDBYFISA-N	475.328	3.343	50	40	JGGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)C(=O)Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1	9120664	CZRLUBHTRITPPB-JLPGSUDCSA-N	498.539	3.490	50	40	JGGB	
CN1CCN(C(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1	9970603	APKXOIJHXILMNP-SSXUBFHHSA-N	450.539	3.026	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1	13514151	ZEJBLLDQCOPMRF-ZVHZXABRSA-N	478.538	3.078	50	40	JGGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)cc1	108936461	LBMWLPQSGQBMJV-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Cl)cc1	408663871	PEILZWOJOXZGPI-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)c1	408775564	IQKPPGKKWOPZMR-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)c2ccccc2)cc1OC	409111862	CRKHAELJSOBHQT-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409155695	MGVHGTATEXNTJH-BRJLIKDPSA-N	489.370	3.060	50	40	JGGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409302878	LGZGMVIQQCVHMQ-UXHICEINSA-N	491.997	3.222	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c(OC)c1OC	1471739	CWFIZSMKWRMUFI-NRFANRHFSA-N	459.502	3.449	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	2240389	NZUKSXFKPWDIMD-QFIPXVFZSA-N	478.574	3.283	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(O)c1	8911487	PTWIZJCMWNUNOJ-SFQUDFHCSA-N	475.979	3.488	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	9233201	XTANZYMMTUKYQY-LUOAPIJWSA-N	484.862	3.353	50	40	JGGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1OC	12275640	YYEAQHCHPXBCFI-GYCJOSAFSA-N	468.531	3.364	50	40	JGGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2OC)cc1OC	13068720	SKVHOWXNCOVPAO-MVDPLZLPSA-N	466.490	3.134	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1cccnc1	13686377	JGEJFGRNMAQXFI-WJDWOHSUSA-N	460.968	3.178	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	20059788	XEVCZAJFDOKCCX-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccc(OC)c1OC	20348258	VSVYFSVAGQXCCY-FQEVSTJZSA-N	479.558	3.319	50	40	JGGB	
Cc1cccc(OCC(=O)NN/C=C2/C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)c1	33014834	CVBFWPVFXMWIOD-DEDYPNTBSA-N	462.893	3.271	50	40	JGGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(N2CCOCC2)o1	59249977	IFJMYVGGQIQGSG-KEBDBYFISA-N	487.148	3.170	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1	102244996	IWRVENMOESZHDB-ILWGZMRPSA-N	469.607	3.403	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408609546	KEICSBPQEJMZKJ-LHSRNITLSA-N	494.773	3.427	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408827543	KGFMAESYCWRPNC-WPWMEQJKSA-N	492.557	3.252	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OC	408874298	ZXQUVZMETYHJHC-JAIQZWGSSA-N	454.264	3.471	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c1	409152120	DKVQMOPPUBWEQI-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1	409152439	FDQPTNSFYZBTHJ-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)cc1C	409170472	VUYZYWZBLACIRJ-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc3ccccc23)c1CSc1ccccc1	2448074	PWZYDDSNBADJES-DHRITJCHSA-N	470.518	3.442	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC	10475996	NOAPYIGPKWBIKZ-ZMOGYAJESA-N	493.354	3.491	50	40	JGGB	
CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	12526753	GRNYNERCMQWFCW-QHCPKHFHSA-N	494.617	3.172	50	40	JGGB	
Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NNC(=O)CCC(=O)N1CCCC1	13942918	CSBDXWGSUNVSDZ-UHFFFAOYSA-N	462.550	3.148	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1	20059783	YVBMRUIYSYJGRQ-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OCC)c1	409153593	IILMNBCGRFJPIA-VULFUBBASA-N	474.945	3.123	50	40	JGGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)NCc1ccccc1	409257426	SNWYXQAZNCQLMI-CCVNUDIWSA-N	482.899	3.263	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccccc1	409257706	ULTXQMJFVNAYOW-UVHMKAGCSA-N	498.923	3.116	50	40	JGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1	951120	QTHOYIWXUQPIHI-HZBHDWBUSA-N	462.458	3.001	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C\c3ccc(CC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(CC)cc1	2334267	LGVLCWDANXUVQA-UAPYWLNTSA-N	485.609	3.025	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccs1	3102432	GZUBGNRPBCSUFM-WSDLNYQXSA-N	455.448	3.413	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21	6165982	KJCQOLMWQGJQGQ-QOCHGBHMSA-N	454.533	3.050	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	9584816	CQHUTIMPCZSGBU-UHFFFAOYSA-N	453.564	3.465	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	16186369	DQDAPTZPCFXMST-ZXVVBBHZSA-N	494.617	3.145	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(F)cc2)cc1	16292538	YGVQYUAAMSQFAI-DHRITJCHSA-N	469.494	3.208	50	40	JGGB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br	103916650	YQACQFZWMBATNV-BOPFTXTBSA-N	458.272	3.288	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2O)cc1	409186059	WAGNXRWKGMDVBN-KOEQRZSOSA-N	451.548	3.084	50	40	JGGB	
COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCCCC3)c3ccccc32)cc(OC)c1OC	2436861	NGXFBPVBZSVYQV-QOCHGBHMSA-N	474.517	3.150	50	40	JGGB	
C/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c1cccc(C#N)c1)c1cccc(C#N)c1	8622484	CBLHWPVKEUGHSD-LNHPOQELSA-N	460.563	3.321	50	40	JGGB	
O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NNC(=O)c1cccs1	9413382	CKFUHZFUKUGFGN-UHFFFAOYSA-N	463.972	3.460	50	40	JGGB	
O=C(CSc1ccccc1F)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	9506807	DZNAKIMKPWRBRP-UHFFFAOYSA-N	485.990	3.207	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@H]1c1ccc(C)cc1	12250323	OFQXNFSNMCGKOU-RTWAWAEBSA-N	494.529	3.321	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c1	102982235	IJSIMYJJMPFMFF-SOYKGTTHSA-N	490.585	3.398	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)ccc1Cl	226382240	AIFPQPZOOAEVOZ-ITBWZIIFSA-N	477.536	3.321	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccc(I)cc1	408590215	ODGLALIQMRBLTF-CIAFOILYSA-N	467.307	3.302	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1cccc(Br)c1	408777092	VBBXJVKEBVQGDI-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1	408908682	XULLVBDFPNHUKU-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
O=C(COc1cccc(Br)c1)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	409070888	MHQBBTQBUBLCLO-WSVATBPTSA-N	473.077	3.355	50	40	JGGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1	409226817	VYFHELXACAFLCP-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C	8719236	OPEDZHXIVOLXAP-UHFFFAOYSA-N	466.350	3.351	50	40	JGGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccncc1	8819729	LFLQWPJHBJVBQE-SDXDJHTJSA-N	454.577	3.304	50	40	JGGB	
Cn1c(CC(=O)NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)nc2ccccc21	9219646	XSOXWZOXXYOJMJ-NRFANRHFSA-N	489.963	3.478	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@@H](C(C)=O)[C@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	100363621	HAHWMQFIDWVHBU-MSOPSMMRSA-N	453.580	3.055	50	40	JGGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(N)=O)c(OC)c2)cc1	408583665	WECIVGNWOOKUCD-VGOFMYFVSA-N	464.259	3.237	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cccc(C(F)(F)F)c1	408773408	QEAOWVVUVWUNIU-BRJLIKDPSA-N	465.453	3.481	50	40	JGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1	28213684	PCINWIGUXUXUJB-LWVVSQLESA-N	469.607	3.361	50	40	JGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cc(I)ccc1Cl	226366921	ANZORQABGSBJOF-UHFFFAOYSA-N	453.667	3.500	50	40	JGGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(N2CCOCC2)o1	408846540	SVIAYKONDVQDTQ-BRJLIKDPSA-N	479.484	4.028	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	408925797	QFVLRDOTYPSFHY-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc(Br)cc(Br)c1O	408974450	ZYBKZQOEIJZCDF-DKNGMTOASA-N	495.171	3.383	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409265071	MMEFSLRYPCPVFU-UVHMKAGCSA-N	498.923	3.116	50	40	JGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc([N+](=O)[O-])cc3)NC(=O)[C@H]2C(=O)OC)cc1	409328074	YRSAZVDCMIPHDB-OALUTQOASA-N	481.486	3.053	50	40	JGGB	
CCn1nc(C(=O)NNC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c2ccccc2c1=O	12934210	ORUDLQFALITXMS-UHFFFAOYSA-N	454.486	3.031	50	40	JGGB	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	19299357	BINRBPQDWVVKQC-LDADJPATSA-N	487.472	3.296	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	19955936	IHFJRQGHACNLMO-CVKSISIWSA-N	498.536	3.138	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(I)c1OC	35144851	WYVRBUKMNBHIBE-KEBDBYFISA-N	467.263	3.031	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1Cl	408537477	VQZACASZMHFUKT-OFOCJOHBSA-N	498.120	3.371	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	409006196	HQEGWABIVXVPCQ-QFEZKATASA-N	478.461	3.393	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409161099	WKRHZVYCRPSVJV-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409240040	PIVGIPXQQMVBKC-KSEXSDGBSA-N	467.291	3.232	50	40	JGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1OCC	2710052	YOIMMRJZOSHXDY-JTSKRJEESA-N	451.523	3.351	50	40	JGGB	
COc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc(OC)c1O	3091800	JJNXJCSIBBWYFZ-ZRLAZVNZSA-N	451.504	3.392	50	40	JGGB	
Cc1cc(SCC(=O)NNC(=O)Cc2ccccc2)nc(SCC(=O)c2ccccc2)n1	12491691	ZNURJOHYDDNGRM-UHFFFAOYSA-N	466.588	3.242	50	40	JGGB	
C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	13522363	BOAKNSGDRHMKKX-ABROSTTOSA-N	474.410	3.024	50	40	JGGB	
COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)NNC(N)=O)c1	13944038	JLPQMZOHOGHROX-XMMPIXPASA-N	469.501	3.088	50	40	JGGB	
CSCC[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	100178062	HQFUHOXYYXAZDG-IYCJUYGXSA-N	498.048	3.384	50	40	JGGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	408994350	YSRAFRKZPZOFHL-PBWVZGNXSA-N	455.902	3.060	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC	409005388	IHJRYLSGVGLACJ-WPWMEQJKSA-N	481.549	3.280	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)c1	409176061	XUQPKWLJDGTOOV-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)nnc1-c1ccc(Br)cc1	1861102	OXYVGKGJYUPABX-QGMBQPNBSA-N	481.357	3.457	50	40	JGGB	
Cc1cccc(C(=O)NN2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	9591548	IQFBYABLAVYBCA-PKOBYXMFSA-N	460.889	3.051	50	40	JGGB	
CSc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(SC)cc2)C=3C#N)cc1	20275279	FUXCMQMLIWQMIT-LYCWOWIHSA-N	474.636	3.305	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc(Br)cc(Br)c1O	59426178	FVSZEWQZBHIUJV-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
CC(=O)OCC(=O)[C@@]1(OO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](OC(C)=O)C[C@@]21C	70692226	RLPYBDPXYUMMPL-DRFBWZTOSA-N	474.550	3.443	50	40	JGGB	biogenic
O=C1NC23C[C@H](Br)[C@@H](Br)CC12C[C@H](Br)[C@H](Br)C3	101042851	KPGFGUJLASAUPU-PKPSZDATSA-N	494.847	3.483	50	40	JGGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]	408761439	FIINKGKAOJBESM-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1	409151826	CGIXFZNBDUUZCP-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1	409166480	DRLROQDBJSUFCQ-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1	409264301	OQKQEORAFLNPNL-WGOQTCKBSA-N	460.490	3.192	50	40	JGGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	12032597	HRNRKSOLVBJEES-XMHGGMMESA-N	489.644	3.295	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	14377807	DFPUIRDWWVNFPR-UHFFFAOYSA-N	450.322	3.315	50	40	JGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	19952680	BADVLDDSJIMLGV-YDZHTSKRSA-N	473.352	3.190	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccccc1Cl	408663903	PNOQTVUVLANGHT-UHFFFAOYSA-N	453.882	3.216	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c1	409015141	NWRXCCVVKYMDNG-ORBAKXMTSA-N	461.946	3.417	50	40	JGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC	9289475	OAUYVJMEOVEVGX-VULFUBBASA-N	462.458	3.345	50	40	JGGB	
COc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	9444764	AMSVQBMHKQGDHT-SFQUDFHCSA-N	475.979	3.401	50	40	JGGB	
CCOc1ncccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	17520347	PYXRVUVKBYGRDD-UHFFFAOYSA-N	474.926	3.009	50	40	JGGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCC(=O)O	35494360	YQNDLBXCZYCFGK-NKVSQWTQSA-N	455.692	3.267	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	100958962	IKKAVKVYRVZYNG-CCULFSDZSA-N	462.527	3.045	50	40	JGGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)NCc1ccc(Cl)cc1	408828287	LVNLMDNHAWCKFI-ATVHPVEESA-N	462.893	3.411	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)c(Cl)nc2c1	408925808	QLYDMMRJPRNHOW-WYMPLXKRSA-N	474.970	3.430	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2F)cc1OC	408980332	QPVHBIVYPUTCMZ-WPWMEQJKSA-N	499.564	3.227	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1	409154949	HVHDHFPCNWJRBN-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(CC)cc2)c(OCC)c1	409165024	RDPGPOJMFFGOJL-MZJWZYIUSA-N	486.956	3.071	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCC(=O)O	409195817	WCJFELKRFBKPGU-QPEQYQDCSA-N	484.290	3.119	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccccc1Cl	3117114	DHQIKIKLQHWNRT-LGJNPRDNSA-N	469.881	3.431	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc4c(c3)OCCO4)c2)cc1	6093160	MLLTZKNDCQXADO-BUVRLJJBSA-N	467.503	3.031	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccccc1OC(=O)N1CCOCC1	13403910	BDQNZAWFZBACQN-IBGZPJMESA-N	488.460	3.034	50	40	JGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccc(I)c2)cc1	13562641	CRMGHKDIKPKWSZ-LPYMAVHISA-N	465.291	3.112	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1	409159297	VVHXDFFUXHPVCX-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O	409352095	WFRJQTAWNSBQFN-UHFFFAOYSA-N	463.003	3.183	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2)C(C)C)cc1	3144150	BGSZQLQCKCNOJP-QHCPKHFHSA-N	472.545	3.463	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1OC	12694247	VLMSYIPMVYYNGX-UHFFFAOYSA-N	483.546	3.278	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1	14359193	PJNIXEWIKUMUPI-JXMROGBWSA-N	473.639	3.484	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	19950873	AMFGWQZSUXYKGT-NLRVBDNBSA-N	480.590	3.497	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC	20211003	VCAWWNVJQHIWAU-DHRITJCHSA-N	485.484	3.195	50	40	JGGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cc(Br)ccc3O)c3sc(=O)[nH]c3S[C@H]12	100872016	CRVRIWAGIWPONO-HCWRQXKJSA-N	480.361	3.092	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(C)(=O)=O	408773432	RDVCWNHBGKKTIF-CIAFOILYSA-N	488.791	3.418	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1C	409154337	NPGXVGCLCGYFCM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409255513	LLUAVEDVAQEQCN-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)cc2)S(C)(=O)=O)cc1C	409352752	ZAIQKPXKJOAWDR-SOYKGTTHSA-N	490.585	3.380	50	40	JGGB	
O=C(COc1ccc(Cl)cc1I)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	13476854	SUSAEFJPFZVVKX-CNHKJKLMSA-N	475.626	3.088	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	19597444	XFKXSALKGYNRPI-WYMPLXKRSA-N	452.389	3.188	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1	58881564	YHECEYBHENORNC-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	59333040	HNXNDQZYCCFLSA-PDGQHHTCSA-N	469.925	3.156	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1	409155328	IHAYXMGYKAVYEG-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	409260466	QOXZAKVNWSDQKM-OBPDLJBASA-N	495.363	3.384	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c2ccccc21	409338751	ADMMPSUNPOKYQY-YPIBWQMHSA-N	460.515	3.164	50	40	JGGB	
C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	8767274	YFFYSPPQMSQUFS-DFEHQXHXSA-N	468.470	3.444	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1	13134816	FFWBDGXJELURGZ-UHFFFAOYSA-N	453.882	3.332	50	40	JGGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)cc1	13879204	VRIVBNOKZMBGCX-XVZKFWCKSA-N	473.489	3.288	50	40	JGGB	
O=C(NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1Br	102922074	QGSILZKDGNOPCR-CQSZACIVSA-N	456.218	3.034	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	408613495	ZZQUEYSBHGPOEN-RWPZCVJISA-N	465.481	3.188	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408726479	BWHHGFXSGQNVAI-UHFFFAOYSA-N	468.919	3.273	50	40	JGGB	
Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc(-n4c(C)ccc4C)cc3)C(=O)NC2=S)cc1	408753456	IXLGGTDOOJYWGN-IDEIYSCTSA-N	473.558	3.182	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1O	408788281	DNTIYBFFVSQRHK-CVKSISIWSA-N	497.573	3.372	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1	409006535	OPYCMHFFPKEHFS-YZSQISJMSA-N	451.523	3.271	50	40	JGGB	
CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1	409327161	QLQZFSRMHMYHIP-RBUKOAKNSA-N	479.986	3.126	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1	9065479	UJJPQEFXKVTYKJ-VKMIRQPFSA-N	496.571	3.391	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccccc3C(F)(F)F)nnn2-c2nonc2N)c1	9500363	JIYXQAHYZOAQGB-KBKYJPHKSA-N	486.414	3.081	50	40	JGGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1	9631374	TWDMZPQSCWPWPN-GBCXBXQLSA-N	451.523	3.390	50	40	JGGB	
CC[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2C1	13040444	YPXNHFZXNWITDE-LBPRGKRZSA-N	489.541	3.178	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1	13807543	GIGGVSCJVXCAMW-QPHMKDBKSA-N	498.564	3.319	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C	14361353	RSUUUNYFCVZCMK-LKPOPDHGSA-N	481.549	3.154	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2ccc(C)s2)c1	19172789	RNBJJAZVZYYVNW-OUKQBFOZSA-N	471.560	3.340	50	40	JGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20213830	MNDQANICHMHHDG-YDZHTSKRSA-N	470.507	3.388	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1	36235394	BTPSLIWQBZJQCP-SRGJNHRASA-N	473.485	3.441	50	40	JGGB	
Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O	36235397	SCCVTYGVVPZYCL-HXEVDWITSA-N	488.456	3.259	50	40	JGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc(F)c1	408886633	KXQKSAOLNBTINE-WLRTZDKTSA-N	452.223	3.410	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(I)c1O	408972449	BXRLXMXAZYHJPV-GEVRCRHISA-N	497.318	3.055	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1	409152104	IYMLZMFVBZXIFP-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409250119	LIHRRBHROCOZCU-OPEKNORGSA-N	493.347	3.138	50	40	JGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1	6239285	STTLVEVLXSXWRA-GOSISDBHSA-N	462.462	3.107	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	19950566	GERDVXPLIKRDPS-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)cc2)cc1	20060133	SPJJPJNOGGMWBN-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	30734400	SFHQOIUWQFIRFQ-IZMLKWASSA-N	489.503	3.424	50	40	JGGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1OC	40486394	OURACXHQSBRIMW-NHCUHLMSSA-N	483.521	3.334	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	59366748	NIQAIBLHYYMDBG-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1	59437012	AGNCSOSXOBXPQI-NLRVBDNBSA-N	495.557	3.202	50	40	JGGB	
Cc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl	408647484	TYDXATCZFPHZAQ-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1	408655680	LLDUJEUEOKREQT-IDPBPBMLSA-N	499.361	3.299	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(Cl)c(Cl)c1	408687933	VIDLNSSXBWRFHL-QJPVEVLHSA-N	463.111	3.046	50	40	JGGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2c(c1)OCO2	408736798	ICGYWFUVQCRLQC-YTFRCDPQSA-N	450.495	3.340	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(Cl)c1	408938757	ACGQQYZJVPGYGM-OAQYLSRUSA-N	486.981	3.225	50	40	JGGB	
COc1cccc(CC(=O)N/N=C\c2cc(Br)cc(I)c2O)c1	409097127	NAONSQXODKDPAF-OCKHKDLRSA-N	489.107	3.461	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409227285	YXSRELWOBPSHPN-CFRMEGHHSA-N	491.416	3.445	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	993631	VKVIXNAGCDELKA-VULFUBBASA-N	480.473	3.410	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1OC	8819492	HPVMJANSPDRDHD-ZHZULCJRSA-N	499.614	3.455	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1	8819904	YXYSLLRPJRIJKF-RGEXLXHISA-N	484.603	3.313	50	40	JGGB	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	9885387	CVHSXXURRSCGOF-HXUWFJFHSA-N	484.541	3.198	50	40	JGGB	
COc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccncc3)cc2OC)cc1	41078025	XLOAUVWAWSLXDF-ZMOGYAJESA-N	475.910	3.284	50	40	JGGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br	59246562	OVOJGGIAFCKBGM-ROTLSHHCSA-N	491.773	3.335	50	40	JGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409007900	ROFZAGNTNKNINS-YUMHPJSZSA-N	485.500	3.050	50	40	JGGB	
CCc1cc2c(=O)n(CC(=O)N/N=C3\C(=O)N(Cc4ccc(C)cc4)c4ccccc43)cnc2s1	1784469	BBJUKNBFACUHJX-FAJYDZGRSA-N	485.569	3.396	50	40	JGGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C#N)cc2)cc1CSc1nnc(C)s1	2411698	BBKOUXUVGXQMJX-FOKLQQMPSA-N	466.548	3.108	50	40	JGGB	
CO[C@H](C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1)c1ccccc1	8398673	HPTZLUZFLFTHCS-KEMMBLORSA-N	458.518	3.362	50	40	JGGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	8721876	PCPVBXWUJYBCJF-IWIPYMOSSA-N	466.519	3.244	50	40	JGGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)cc1OCC	9019703	JBBAMCDEKXZQAU-NRFANRHFSA-N	458.511	3.452	50	40	JGGB	
Nc1cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc([N+](=O)[O-])c1	9846042	RLJBLUXZZGHABX-NGYBGAFCSA-N	458.066	3.172	50	40	JGGB	
COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1	12275345	ROAWDCQVWQMBLZ-OSPHWJPCSA-N	466.515	3.134	50	40	JGGB	
CCC/C(=N\NC(=O)C(N)=O)[C@@H](CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1	16953447	TXLBRGLHDVCRNH-BKLZMKSISA-N	478.593	3.349	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	28215172	SFPFMIKCLALUJD-FQNOVECQSA-N	461.518	3.481	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1	58873695	BEUCRTVUVCUXCF-AXNZHVIBSA-N	474.517	3.040	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC	408767015	HURIEWWBUPNBJJ-ZMOGYAJESA-N	473.473	3.029	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OCC	408877818	YRFFOZIEPHZQPT-LPYMAVHISA-N	498.399	3.163	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(I)c1	409100898	VVVOZOPDZQIJEN-REZTVBANSA-N	490.051	3.431	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OCc1ccc([N+](=O)[O-])cc1	1081956	RUUFLOBTORONBD-WYMPLXKRSA-N	475.465	3.001	50	40	JGGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	2325086	LCXKAXQNJMLRAJ-HSZRJFAPSA-N	459.502	3.449	50	40	JGGB	
O=C(NNC(=O)C(F)(F)F)c1csc(-n2nc(-c3ccc(F)cc3)cc2C(F)(F)F)n1	3765705	CQGPNNYFZPJTIF-UHFFFAOYSA-N	467.326	3.477	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	6166505	ASNJZKYNHGCEGV-KALXRDFISA-N	477.590	3.421	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)COc2ccc3c(c2)CCCC3)C(C)C)cc1[N+](=O)[O-]	9305470	SQIRDSUGJRPZIY-PODSUIKTSA-N	482.537	3.152	50	40	JGGB	
CN(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	16186780	XWHFAYXMQVWXSQ-DNTJNYDQSA-N	479.729	3.326	50	40	JGGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)cc(OC)c1OC	59416297	BZQHXBVIRFQYCM-DHRITJCHSA-N	465.462	3.140	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59435444	XHVVJQVTFWIBTB-YZSQISJMSA-N	481.574	3.435	50	40	JGGB	
CCOc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)cc1	408782318	HANNYLRFEHSOIZ-UHFFFAOYSA-N	492.557	3.062	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1	409260247	NGZJZPXGIUONMM-OBPDLJBASA-N	495.363	3.384	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc(I)c1O	12844035	DNNKBWOWSTZUDB-ZVBGSRNCSA-N	468.291	3.460	50	40	JGGB	
C/C=C\C(=C\C(=C\O)OC)\C=N\NC(=O)c1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	225791034	YSGGDKOWKLKGJI-JACULEFASA-N	478.505	3.429	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1	408664728	JQCVYQXWHJFZPU-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	408749708	SAXAAYHLHCDYRY-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-]	408979241	LQXNVIJVRRDQPP-HUXSYLCKSA-N	496.545	3.472	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)Cc1ccccc1	409142214	CGJVDALJLFCFLX-PCLIKHOPSA-N	451.548	3.178	50	40	JGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1	6165977	PPHUOGXHWNGAPK-LPYMAVHISA-N	475.548	3.339	50	40	JGGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19952352	LXJGZSZSDZEUJW-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408543719	SISLDSKUERTWCA-MYKKPKGFSA-N	462.418	3.418	50	40	JGGB	
COc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)c1	408683956	MOAXTBXAGXWGHP-YRYYUTHUSA-N	485.334	3.457	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)c(Cl)c1	408741507	MKHMTNSGJBIKQE-WHQXGRPESA-N	469.737	3.427	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cccc(Cl)c2)cc1	409110072	QVCWAJZEMKFJEE-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1	409163158	MPTMORQDLCBICE-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1	409168664	NYUIBGOSBNAMAE-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)c(C)c1	409259624	BPHFSJVOLCXEFG-KKMKTNMSSA-N	482.924	3.334	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O	58853530	GQXWQBYAIKAOAQ-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(O)cc2)cc1	83318941	MDQGRWFCIWUMLZ-UQQQWYQISA-N	451.548	3.084	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1O	408567343	LXORRJBDELLDFW-DJKKODMXSA-N	485.234	3.076	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)NCc1ccccc1	409167883	JTDRAGYECYDBFS-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1	778266	BMUCGRKANOCPCX-CPNJWEJPSA-N	463.515	3.467	50	40	JGGB	
CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2C1=O	3282038	CFRVEOMQJJXPET-UHFFFAOYSA-N	458.474	3.327	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C1CCN(Cc2ccc(Br)cc2)CC1	4643944	AJNXENRFIQGYPP-WSDLNYQXSA-N	461.316	3.425	50	40	JGGB	
CC(=O)O[C@H](CC1CC(=O)N(CN(CCCl)CCCl)C(=O)C1)[C@@H]1C[C@H](C)C[C@@H](C)C1=O	4758084	WWVPKXABFDVWMX-VVWQDTPRSA-N	477.429	3.062	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1O	20059704	UDJPGYDCNOJIDB-BUVRLJJBSA-N	469.519	3.109	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccccc1	138624911	ONFSRXZLXJIWTL-UHFFFAOYSA-N	485.846	3.472	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	408609659	KXYVYYDKVUJWKZ-ZMOGYAJESA-N	462.344	3.403	50	40	JGGB	
O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	408685627	PNOBDQPCYSTINY-DNLMCPORSA-N	499.317	3.147	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O	408782747	YVEOCYCNXSTGOJ-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)cc1C	409150151	ANYJRFGIGKQZMI-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1OCC	409185259	VBEAYLNINODZFX-OVVQPSECSA-N	494.573	3.391	50	40	JGGB	
CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)NNC(=O)c1ccc(OC)cc1	900390	PWOWKFHORVJFLV-UHFFFAOYSA-N	474.974	3.125	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc(Br)c1OCC(=O)N(C)C	3546617	QUWPDBSZNJVJMD-YSURURNPSA-N	473.327	3.170	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC	8683247	BKKSJYWURUEGIB-LFVJCYFKSA-N	453.520	3.293	50	40	JGGB	
CCCCC(=O)N/N=C\c1cc(I)cc(I)c1O	17424275	BHHWHQSFFPPWOU-CHHVJCJISA-N	472.064	3.242	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19951450	BFUHTEXMEBLECH-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
COc1ccc(C(=O)/C=C(\O)C(=O)NNC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	100766439	AKOQUUUCHVCZDC-JLPGSUDCSA-N	474.513	3.020	50	40	JGGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]	408761644	AHVFIPBUJFACMT-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	408980528	RSRMZUXYOIRBFX-CPUXBYDOSA-N	460.446	3.335	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccco1	408998538	REZDMSYTYDYONX-KVSWJAHQSA-N	488.422	3.082	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1	409163908	ZIRRZTBGLAUSAP-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)Nc1ccccc1	409375739	OQIDBLGYEZKABR-ATVHPVEESA-N	470.323	3.232	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc(I)c1O	4067139	SUBNWLWHCXNOQH-KEBDBYFISA-N	462.247	3.159	50	40	JGGB	
CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1	9307798	WSRDWKCGVJDLOU-WYMPLXKRSA-N	462.539	3.160	50	40	JGGB	
N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1	9375672	LEXHNDNAPNGTCD-FCDQGJHFSA-N	497.580	3.359	50	40	JGGB	
COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2sc(-c3ccccc3)cc2N)C(C)C)c1	9533204	ICNOMQDKAJLLOX-NRFANRHFSA-N	496.589	3.230	50	40	JGGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59302965	NBCWLIBYEOSZHR-FOKLQQMPSA-N	450.407	3.163	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1	59333388	YZTKWODJLCJZSV-AQTBWJFISA-N	484.350	3.257	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OC	408752644	FRRBJPZSJODHIB-VXLYETTFSA-N	469.235	3.371	50	40	JGGB	
CN1CCC(=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1	409023642	ABTNLEAXKZVFSE-UHFFFAOYSA-N	469.394	3.387	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O	409188900	BWRVSQONWUNFKV-DNTJNYDQSA-N	488.665	3.181	50	40	JGGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	1305247	SPTHFCWTEGPSDY-OLFWJLLRSA-N	460.921	3.066	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1ccccc1F	9110877	NZNMXHSYWMTHAM-RBUKOAKNSA-N	457.458	3.074	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(I)cc1	10476073	VPWSMVMOEGBFST-REZTVBANSA-N	490.051	3.431	50	40	JGGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1	17373780	LBQOCTFSUHIPQU-LDADJPATSA-N	484.559	3.346	50	40	JGGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(I)c3)[C@@H]2C1	19943039	LYFZBIWOFJRIPT-MOPGFXCFSA-N	469.330	3.427	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(Cl)c(Cl)c1	409260093	KNSZVDJZOHEJAJ-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)N1CCOCC1	1066052	DEFGMEAIIWQGES-HXUWFJFHSA-N	473.489	3.134	50	40	JGGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1	8830186	DELJEAXSANCQRF-KSFYIVLOSA-N	492.532	3.146	50	40	JGGB	
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21	9090704	MRVWHDCQCPGLNG-NJGPAXRUSA-N	463.365	3.487	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1CSc1ccc(Cl)cc1	9480078	WWONQUZMXSMYNZ-NUGSKGIGSA-N	472.893	3.081	50	40	JGGB	
Cc1cccc(C(=O)NN2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	9591540	IQFBYABLAVYBCA-MJGOQNOKSA-N	460.889	3.051	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	15226242	HPXGCUWYIAPRNE-MFKUBSTISA-N	452.536	3.214	50	40	JGGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccccc1F	19597398	GBJODYXLOLVZBD-OAQYLSRUSA-N	491.548	3.107	50	40	JGGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1	27083464	CHRWXLCCUQTAGN-AWEZNQCLSA-N	458.515	3.361	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1)c1ccccc1	58884449	FYZOKFSVKLMKAY-JXBYXGIRSA-N	486.572	3.142	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OCC(=O)NCc1ccccc1	408612938	XNCCRAAQVIKPIM-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)c1	408895645	UXVOXXLOECSJQX-YDZHTSKRSA-N	459.959	3.059	50	40	JGGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccc4c(c3)OCO4)o2)cccc1[N+](=O)[O-]	409155810	CXOQJTUKNMMEMV-ZFVWIKOCSA-N	464.434	3.161	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OCC	2176177	MHLPINFVZNXYOM-BUVRLJJBSA-N	461.584	3.407	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1	20210979	RVHSOFMCRNLLIY-ZMOGYAJESA-N	455.458	3.187	50	40	JGGB	
COc1c(F)c(F)c(S(=O)(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(F)c1F	24976181	QCZIOEHOJUJNSZ-UHFFFAOYSA-N	489.422	3.422	50	40	JGGB	
Cc1ccc(OCC(=O)N/N=C/c2sc(=O)n(Cc3cccc(C(=O)O)c3)c2Cl)cc1	26466066	WDJXCOAKDOXURF-AUEPDCJTSA-N	459.911	3.147	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccc(C)cc2)cc1	408922563	OXAGCBKHAGPVNB-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2cccc(Cl)c2)C1=O	1304772	VOAUAPWKPLVWPU-ATVHPVEESA-N	475.979	3.401	50	40	JGGB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)C1	9075519	AXSRZJOPYJNEKA-FNNTWHHHSA-N	499.571	3.006	50	40	JGGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCC2	9438998	PSBFDDCNBDIWOK-SHHOIMCASA-N	469.607	3.114	50	40	JGGB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2)C1	9561977	BSCDGGYJFWXRDB-IRXDYDNUSA-N	494.573	3.352	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C/c1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	13784818	FDJHOPQTBYUPKU-YJGSSNSBSA-N	464.485	3.026	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1cccc(Cl)c1Cl	408683143	KMHGASJAAHQYJA-VKIUBIPYSA-N	463.111	3.046	50	40	JGGB	
Cc1nnc(N2C(=O)c3ccc(C(=O)O[C@@H](CCl)C(=O)c4ccccc4)cc3C2=O)s1	408691217	YWNQTVGGTJVFAM-INIZCTEOSA-N	455.879	3.294	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(F)cc2)cc1	408786743	MTRBCLPTPVRURX-AFUMVMLFSA-N	469.494	3.178	50	40	JGGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409327716	WQWTXVYGKWZSKS-CABCVRRESA-N	473.334	3.036	50	40	JGGB	
O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(C(F)(F)F)cc1	13880690	SHQRXJKJULLGCQ-UHFFFAOYSA-N	463.334	3.141	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Br	20209601	RKHDBYOKZJMNEO-SRZZPIQSSA-N	487.807	3.085	50	40	JGGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O	408638707	DATLPTCGMGSETI-QGZVFWFLSA-N	458.356	3.388	50	40	JGGB	
O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1	408672942	PMFPCBPIIARKCI-NDBYEHHHSA-N	478.568	3.201	50	40	JGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1	408881810	KQWITLYWQYIUBA-PCLIKHOPSA-N	452.536	3.105	50	40	JGGB	
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cc(Br)cc(Br)c1O	873091	SPZMHBSFIHTTSU-CNHKJKLMSA-N	473.077	3.355	50	40	JGGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	2542000	ULNBNKULQMSQEV-LGJNPRDNSA-N	468.477	3.037	50	40	JGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1OCC	2710050	YOIMMRJZOSHXDY-HTAPYJJXSA-N	451.523	3.351	50	40	JGGB	
COc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1	3082174	IKWZQLTVFWOHLD-VAHWYXDJSA-N	451.548	3.044	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	8820468	VYBIUSBWAOQLDT-DFBITEFZSA-N	482.543	3.204	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1OC	13402969	NOSQXEUWHFWCLO-KGENOOAVSA-N	489.528	3.258	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccccc2)cc1	19950839	RILLUNZDDJPTJE-YZSQISJMSA-N	495.557	3.218	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)[C@H]3COc4ccccc4O3)cc2)cc(OC)c1OC	32109238	ITEDEJCSPVPBCA-YZYFAYFQSA-N	492.484	3.222	50	40	JGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408541489	CXCZMEZFAQUANM-AUWJEWJLSA-N	459.252	3.245	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br	408752854	CSXUJOCVQBGXEW-VVJWVBNBSA-N	482.400	3.219	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(I)c1	408962694	JGRLFKGWIQKJSN-CAOOACKPSA-N	492.054	3.365	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OC)c1	409165608	ABEZHSOIFXXBBB-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1	409265258	RPSNDANOJRDNLE-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F	409271836	NVDDWXQEWXBJCO-IETDBYTCSA-N	464.444	3.088	50	40	JGGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(OC)cc3)=C2C#N)cc1	409309742	LXAFPXGPHGMEES-SFHVURJKSA-N	451.504	3.192	50	40	JGGB	
O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	2646087	KINVTOUZJPYNPV-UHFFFAOYSA-N	469.950	3.162	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)c(OC)c1	13584061	JZQONCDWKHARQP-WSDLNYQXSA-N	470.511	3.133	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	15230915	FVMYQLSSGCBQJP-CURYZJDOSA-N	476.558	3.148	50	40	JGGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240469	HZWLKGGUGFZYBD-UHFFFAOYSA-N	453.546	3.091	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc2c1OCCO2	21876265	BPWHSWRQDAAUFN-UHFFFAOYSA-N	470.485	3.394	50	40	JGGB	
O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1-n1cccc1	33725228	YJINNVCPGWFLSG-PKAZHMFMSA-N	455.518	3.055	50	40	JGGB	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc12	39996855	IVODCCFJOALUGZ-UHFFFAOYSA-N	478.925	3.099	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1	408766757	GCQYXSZPJHKGJM-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1Cl	408772041	JUAMSCZBPLRYBD-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)cc1OC	408837520	HQQYBEUBGYABEO-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N(c1ccccc1)S(C)(=O)=O	408907833	SXUASSSNSLEEOI-WXUSHSQQSA-N	456.480	3.160	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(I)c1O)c1cc2cc([N+](=O)[O-])ccc2o1	408963194	ASERSHSMSGVZEP-CNHKJKLMSA-N	496.173	3.323	50	40	JGGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(Br)c2)c(C)c(C#N)c1=O	409065329	GAYOWPJCUNRKOA-MSXFZWOLSA-N	450.296	3.247	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1	409254323	WYTRRJNJDWSACF-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
C=CC(=O)N1CC[C@H](I)[C@]2(CCCN2C(=O)OCc2ccccc2)C1	585290393	BYSJZYPKMILMSB-LPHOPBHVSA-N	454.308	3.380	50	40	JGGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc12	9381723	MYKSZQJQZWONQG-GJZGRUSLSA-N	460.581	3.160	50	40	JGGB	
C/C=C/C=N/NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	12362761	FMLNKBHMVMCFPL-OHJZMCNGSA-N	471.495	3.213	50	40	JGGB	
O=C(NNC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	12802689	ZZJOLEUTBFOHSU-UHFFFAOYSA-N	479.558	3.125	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	16227148	FLPOPWJNMPQWMS-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1OC	19947658	ADSRWSQYVWRUIR-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccccc2)cc1	19955700	OGVJFQWZMBVMCD-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c(C)cc1Br	408646401	OVWCMGWHKASITJ-UHFFFAOYSA-N	490.354	3.179	50	40	JGGB	
CCOc1c(I)cc(/C=N\NC(=O)c2cccc(OC)c2)cc1OC	408877743	UFSDVDSAVPWXOG-JAIQZWGSSA-N	454.264	3.471	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccccc2OC)cc1	409025017	PJLZHWYPOGLUFM-KOEQRZSOSA-N	483.546	3.145	50	40	JGGB	
COc1ccc(OC)c(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)c1	409060882	WWDBTVPXCOJJPE-NVJOKUIPSA-N	485.422	3.213	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)c1	409164144	CZNSMESBXIFIRU-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1	409254954	GMAMDSPIXOMGDT-BTIIEKFUSA-N	495.363	3.384	50	40	JGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1	3081181	UCFUGRIXCOWDHL-JFLMPSFJSA-N	476.489	3.010	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cn4ccsc4n3)cc2)cc(OC)c1OC	9634028	CUSNTQGCCBHTKB-DHRITJCHSA-N	494.529	3.334	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2OC)cc(I)c1OC	408948725	DKBPYZZAHWMRPC-JAIQZWGSSA-N	454.264	3.471	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2)cc1	408975550	MVZZJGPNMCCYHC-YZSQISJMSA-N	480.590	3.102	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3cc(C(F)(F)F)nn3C)n2CC)ccc1O	2783761	PQFQRZQNLQNMRN-YSURURNPSA-N	497.503	3.064	50	40	JGGB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1ccc(Cl)cc1	3396499	GWNVGTAIJDRMSY-UHFFFAOYSA-N	485.949	3.175	50	40	JGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccccc2)C(C)C)cc1	6190714	HUYIUYYFLYDAOZ-HSZRJFAPSA-N	488.544	3.163	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	408775460	HIHVCKOOMHUAMR-YZSQISJMSA-N	495.557	3.221	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1cc(Cl)cc(Cl)c1	409268960	BYNTYZPBKFJWON-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(O)cc1	1434952	ZCWOVIQDCGNVGG-UFWORHAWSA-N	458.106	3.455	50	40	JGGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	9139067	OTLIZRHZDPCMCI-UHFFFAOYSA-N	454.895	3.227	50	40	JGGB	
Cc1cc(SCC(=O)NNC(=O)Cc2nc3ccccc3n2C)c(C)cc1Br	9613419	BRYZZEFNCWAYQE-UHFFFAOYSA-N	461.385	3.435	50	40	JGGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1OC	12275637	YYEAQHCHPXBCFI-FYSMJZIKSA-N	468.531	3.364	50	40	JGGB	
CCCc1n[nH]c2c1[C@@H](c1ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(CCC)c43)cc1)C(C#N)=C(N)O2	12411423	UVTKXANCHDAHKD-BGYRXZFFSA-N	482.548	3.474	50	40	JGGB	
Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)c1ccncc1	13955601	HUWYVOVOZSISPY-XMMPIXPASA-N	453.502	3.268	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	20207206	MQYNZVWDBXYIPB-AFUMVMLFSA-N	472.954	3.398	50	40	JGGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3cc(OC)ccc3OC)cc12	33350792	GIJTVAFQGNRIBZ-MXAYSNPKSA-N	453.495	3.210	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnnc2N)c(OCc2ccc(Cl)cc2Cl)c1	59419065	YVHIVAKIRCQSHK-OPEKNORGSA-N	491.383	3.138	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409155077	LMHXZMWISNSHRI-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1Cl)Nc1ccccc1	409163445	RQSZKAKWTXXDIF-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc(C)c1	409228181	VKLHNHVVOKLTOO-CHHVJCJISA-N	491.285	3.289	50	40	JGGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	2784360	FUOWSKKYELKPQF-XNTDXEJSSA-N	452.448	3.356	50	40	JGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1OC	12275169	TWUYYUIZWFSVES-IVCQMTBJSA-N	498.557	3.373	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)CCc2ccco2)ccc1Cl	12740587	WXCPIZQRUDLZRB-UHFFFAOYSA-N	477.926	3.136	50	40	JGGB	
Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	32189121	ONPALGKGPRUNMI-FBHDLOMBSA-N	477.955	3.193	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Cl)cc1	59246437	YEDLVFSJKQAHBK-YSMPRRRNSA-N	457.958	3.438	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCC(=O)O	408748425	DEWAMLNIBJATGC-LSHDLFTRSA-N	465.300	3.392	50	40	JGGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	408873706	VBDHKYZVAYBJTO-VULFUBBASA-N	462.453	3.446	50	40	JGGB	
CN1CCC(=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1	408882194	LQUMXWMPIBXPLN-UHFFFAOYSA-N	469.394	3.387	50	40	JGGB	
O=C(N/N=C/c1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1	408971737	PTXBBKWTEARKKA-KGENOOAVSA-N	450.358	3.000	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccc(F)cc2)cc1OC	409124863	DDPQGMJMBQCLDB-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)c1	409171178	ZJLXKDLEHKGAIT-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1C#N	409251926	REFJIRPJFGWBBL-APSNUPSMSA-N	469.295	3.400	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	409258100	WKQJERBDKCVKIM-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1	409263192	IEUPVCJRZKWHBM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1cccc(C(F)(F)F)c1	409266135	OWVBTMRZPWTKQG-KVSWJAHQSA-N	488.422	3.082	50	40	JGGB	
O=C(NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1Br	2656244	QGSILZKDGNOPCR-AWEZNQCLSA-N	456.218	3.034	50	40	JGGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(CC(C)C)cc3)nnn2-c2nonc2N)c1	9308294	SJPHXZQBHIUPRU-CVKSISIWSA-N	474.525	3.261	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccc3Cl)nnn2-c2nonc2N)c1	13805983	RHNUSRCBDYJYQE-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58882061	ARBTYZVVNARYBH-WGOQTCKBSA-N	460.490	3.192	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59333963	NSYUMLQBBFPTBQ-WZUFQYTHSA-N	460.122	3.149	50	40	JGGB	
C[C@H](NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1	101915689	DWFABGMGTSVDRG-GIVCWQJOSA-N	498.215	3.030	50	40	JGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409156121	RWVQDVBTUCVOJW-PGGKNCGUSA-N	471.728	3.251	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1	409168211	LKJATDPRIRWDMG-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3ccc(OC)cc3OC)cc12	2232684	ZLETZFCLBJSPAU-DHRITJCHSA-N	453.495	3.210	50	40	JGGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12	9381746	FHMYJVSZCGRUQY-UHFFFAOYSA-N	460.581	3.482	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1	58916291	PBYKFXPVJFWVKZ-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)NC1CCCCC1	59960083	IGAQPTGXIQYADZ-AFUMVMLFSA-N	456.930	3.257	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1O	409119005	QVOVCFIZCCBHLH-MFKUBSTISA-N	467.547	3.439	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1	409155872	RGAYBQLDBHQQCE-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	409169140	OZMNOKRROQWBQV-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
CC(C)n1cc(/C=N/NC(=O)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21	409169562	QVLWCCFBOVWSIV-YTRQYYDFSA-N	466.454	3.307	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccccc1	409259372	YSQBMCURAFUHHH-VSRRSJTHSA-N	474.945	3.121	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2Br)n1C	2805729	WYJIKQDCWQJJOK-SRZZPIQSSA-N	460.357	3.496	50	40	JGGB	
CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)C1	8427250	PRJUFMOKOCPWFC-BIKZULFDSA-N	496.524	3.352	50	40	JGGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	34880381	XBHKKLBPJZCMEM-XKZIYDEJSA-N	460.284	3.461	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc([N+](=O)[O-])c1O	37142992	QWTVNAGNORKPTK-GIJQJNRQSA-N	455.208	3.068	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)Nc1cccc(Cl)c1	58880761	ZVURIQZCVZKNGJ-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408863951	RGIPTAPRBYWJOT-BTZNOAQDSA-N	471.322	3.205	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	100959320	RBKMKDGXLLBYQG-CNSRZQHFSA-N	480.517	3.184	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	408829466	JXZHHMKMRLWXNY-ZVHZXABRSA-N	486.481	3.088	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c2ccccc2)cc1	408978255	HKAFULJYLGZXSV-LRULAXNGSA-N	495.557	3.018	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1	409258587	UUTAMGYJOCCMDU-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21	1783782	SIWJOEPHJJDUHE-CAMAOMHHSA-N	463.563	3.175	50	40	JGGB	
Cc1ccc(OCc2nc(C)c(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)s2)cc1	10159863	PSJYOBLRRZQNKA-UHFFFAOYSA-N	463.519	3.305	50	40	JGGB	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1	12756546	PZBUGRALERWLMM-HSZRJFAPSA-N	470.485	3.149	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	20209849	FMIMJQXNNHNGSD-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1	20214354	JRRMHHRVAANLCD-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1	58882142	MMYKNOJRRDBLBK-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(F)cc2)cc1	59443720	DVJRXUGATDXSSG-WPWMEQJKSA-N	496.564	3.168	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(F)cc1	59490197	DNMLNRJMIXXPFU-VULFUBBASA-N	487.484	3.082	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1	59960264	BXNZWICSDKWISB-AXNZHVIBSA-N	474.517	3.040	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1O	96912422	IXEDIDDGUHEBBD-NHDPSOOVSA-N	484.290	3.106	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl	408643536	ALEKJIAVSBLJHX-UHFFFAOYSA-N	466.321	3.415	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)c(C(F)(F)F)c1	408782307	GVPFMPWCTAOSQE-LIMNOBDPSA-N	477.848	3.004	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)c1	408857511	HRTONHHOXPBMQZ-MFKUBSTISA-N	468.579	3.327	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)c1	409152301	DWOWMSAFVXMWBR-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409230206	CKALFAMEGMZCER-ZDLGFXPLSA-N	450.451	3.403	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	1105824	FVMYQLSSGCBQJP-CKNGIZQFSA-N	476.558	3.148	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1O	100065378	HLVGEQXODMSORJ-WGOQTCKBSA-N	499.520	3.038	50	40	JGGB	
C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)C(C)(C)C	408777877	KWVAGEYHLSWRPJ-LGUFXXKBSA-N	497.621	3.218	50	40	JGGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)oc12	409094616	DVQNYGGGTSPHBL-FBCYGCLPSA-N	479.199	3.490	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2Cl)cc1	409150614	CYMJYDPHENQKLG-LGJNPRDNSA-N	458.946	3.142	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1	409151043	GDTCKGLNXMTDGE-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1	409253925	CNBUWHWCFSXBMX-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COc1c(O)ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c1[N+](=O)[O-]	3025559	CAXFGYMWIIKUSZ-FBCYGCLPSA-N	458.652	3.254	50	40	JGGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1	8692197	QWUNEJRBNWSMST-HVUZKSCUSA-N	485.496	3.074	50	40	JGGB	
Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1	9467366	ZSMGPKPAJYDURB-UHFFFAOYSA-N	463.517	3.348	50	40	JGGB	
COc1c(Br)cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1Br	30734437	ZSOFYJPMKRUGSK-YCFFMJOHSA-N	495.171	3.200	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1	59427913	YBPDVTJNOVKZLV-PCLIKHOPSA-N	451.548	3.345	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OC	408760484	ZLCGPBYEHFTJES-VXLYETTFSA-N	469.235	3.371	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1ccccc1F	408819808	UCOGZYVMVKCROZ-GHXNOFRVSA-N	466.206	3.439	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)c1	408860747	DEKRZFJZZJDHHX-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1O	408904781	ONNPFMRUUBYLET-UWVJOHFNSA-N	481.202	3.424	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1O	409232822	SHMZTPJHGKOODJ-UFWORHAWSA-N	486.335	3.045	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br	672552	KGQPWYLLCLILJU-UHFFFAOYSA-N	475.080	3.137	50	40	JGGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	9339682	NAYFBQIWOWHLJC-IADYIPOJSA-N	464.884	3.276	50	40	JGGB	
COc1cc(C(=O)NNC(=O)C23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc(OC)c1OC	13129195	XPBKNKYWSOTBKP-GWEVUABKSA-N	467.360	3.207	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408964584	VIWRUYJDZYLFNR-XYCMHOAJSA-N	455.555	3.462	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1	409261837	DLYSWTBOSYDUEF-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O	19951687	JLRNZXYESZKPGN-ZVHZXABRSA-N	471.922	3.384	50	40	JGGB	
COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC	39986457	YHGJDJZPTAMNEE-JLPGSUDCSA-N	459.568	3.178	50	40	JGGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(=O)c1C#N	59639759	UBFDTROWDCHKQP-KBKYJPHKSA-N	497.349	3.249	50	40	JGGB	
O=C(N/N=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc([N+](=O)[O-])cc1	100032680	MCDQSMPUEHAZRB-WSDLNYQXSA-N	479.361	3.394	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2OC)Cc2ccccc2)c1	107923891	XHELICHFJSONPS-QQXSKIMKSA-N	497.573	3.054	50	40	JGGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408544015	UILZSQKIPOGKFN-NSIKDUERSA-N	489.278	3.253	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-]	408766299	UCVZDRRQAAYIBX-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(Cl)cc1	409253435	GDCQCKLTHHBUON-SQAVSUBZSA-N	474.945	3.121	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2)nnc1-c1ccc(OC)c(OC)c1	1477981	ANHKSEPIEDUAER-YDZHTSKRSA-N	455.540	3.233	50	40	JGGB	
CCCc1c(C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)nnn1-c1nonc1N	2446987	SWZBFHTXNOGDAH-KBKYJPHKSA-N	498.906	3.320	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O	8722691	YPFGMRFVABEMNI-LYORIEDSSA-N	454.310	3.174	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	19954722	CUCDMLNQMAKPKY-PCLIKHOPSA-N	465.531	3.131	50	40	JGGB	
COc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c(Br)c(Br)c1O	31875846	FXOMEALEIAHAJH-XWVRBGGFSA-N	486.116	3.216	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC	59427937	RYYWCQBBXVTHES-OVVQPSECSA-N	495.601	3.396	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(OC)c1OCC(=O)O	59678512	BCXMOLAHBKJFPY-FOKLQQMPSA-N	477.311	3.422	50	40	JGGB	
Cc1cc[n+]([C@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)C2CC2)cc1	100838076	YRMQUXKRACSHCV-NHTMILBNSA-N	474.362	3.471	50	40	JGGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc32)cc1	101027875	FARBOGCDGZRLCO-MEFGMAGPSA-N	490.497	3.096	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	408772835	IGWMJFNISMJZQH-HYARGMPZSA-N	481.416	3.212	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1	408909918	IWUHTPMHERFJCN-HADWXUJASA-N	468.373	3.153	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1	409160583	UMTDSUFTHNHHIH-BRJLIKDPSA-N	489.370	3.060	50	40	JGGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	9313243	IQBDNJFTYWUGRV-RAXLEYEMSA-N	470.492	3.052	50	40	JGGB	
C=CCNC(=O)C/C(C)=N/NC(=O)COc1cc(C)c(Br)cc1Br	14921967	YGCWJRCKTIUOOR-RGVLZGJSSA-N	461.154	3.083	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1	19948048	GBMPDCLMXQLGQM-BUVRLJJBSA-N	451.504	3.039	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1O	20240425	ITNQEMNMOOPEQE-MTDXEUNCSA-N	458.562	3.483	50	40	JGGB	
O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Br)c[nH]1)OCc1ccccc1	32747556	DFBQTXQAORCFGY-LJQANCHMSA-N	485.338	3.076	50	40	JGGB	
CN(C)c1ccc(/C=N\NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]23)cc1	33154794	ZPBQZICITOTQEU-VWTFTVCXSA-N	499.608	3.448	50	40	JGGB	
CN1CCN(C(=O)[C@]23CC[C@](C(Br)Br)([C@H]2Br)C3(C)C)CC1	38151514	GRVPVNGAKKAGRU-KMUNFCNLSA-N	487.074	3.446	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1	58918123	OCGUJFLLHOOMGO-PCLIKHOPSA-N	465.531	3.112	50	40	JGGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)c1	408973500	SUXCIHHAMPIIEO-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](NC(=O)COc2ccccc2C)C(C)C)cc(Cl)c1O	9305747	LUYZLGILJFIPNA-AXDLBROPSA-N	461.946	3.423	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)cc(I)c1O	12418353	DGMWTLBHGZFJEW-UFWORHAWSA-N	460.655	3.188	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1ccc(Oc2ccccc2)cc1	20214074	AKJUIMBTDCQGOQ-PCLIKHOPSA-N	481.530	3.166	50	40	JGGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	33908274	QGCZBHATUMZYPQ-HRYFGOROSA-N	457.442	3.065	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	100959001	RIQUUFCBFARYHX-HKJBKDEOSA-N	456.907	3.379	50	40	JGGB	
NNC(=O)c1cc(Br)c2[nH]c(-c3ccc(I)cc3)nc2c1	226344634	NTYHXDYWCWKYLQ-UHFFFAOYSA-N	457.069	3.201	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1	408822869	CGJYXZXQAFWHBJ-CFRMEGHHSA-N	465.535	3.095	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	409059514	RTZWMZPNXNCQFU-JFLMPSFJSA-N	497.548	3.262	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1C	409269925	BFBMSCSTDHKZTG-YEEYNWEUSA-N	458.946	3.339	50	40	JGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2)C(C)C)cc1	6190649	HUYIUYYFLYDAOZ-QHCPKHFHSA-N	488.544	3.163	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1	20207942	MUVVFGPZGFTYNV-MFKUBSTISA-N	496.545	3.399	50	40	JGGB	
COc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1OCC(=O)Nc1ccccc1	34703593	KEXYWJQIDJAKTJ-MYYYXRDXSA-N	462.462	3.314	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1	58880806	CNBNELZAJZCCEA-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1OC	408727768	GKBVNAAAGKALMO-CIAFOILYSA-N	468.291	3.400	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OC(C)=O	408765503	XXMXYLSQOPMHPG-RGVLZGJSSA-N	452.248	3.379	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1	408863527	NFHKUNISCARRLH-NLRVBDNBSA-N	495.557	3.202	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1	409149085	XAGPGJAANIOPQZ-ZVHZXABRSA-N	451.504	3.313	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409166763	FYKSMJASHLRRBX-KBKYJPHKSA-N	495.363	3.242	50	40	JGGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409189582	QUWUEHSPBJKNEI-ZSOIEALJSA-N	498.317	3.207	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1	409258492	UHPSNJAKMZSCKI-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1	2427448	MGLYSPBXHPHJLZ-XOVFHRFOSA-N	495.333	3.451	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C/c1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	13784816	FDJHOPQTBYUPKU-JSPCPOQUSA-N	464.485	3.026	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OC	408759371	CYBMBCLFODUEIO-FOKLQQMPSA-N	491.285	3.386	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	408840739	ZWRCYLIPIUMDMT-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)cc1	408947452	NRHJBHTYJDBRQE-NRFANRHFSA-N	486.981	3.225	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O	408996515	ILNUXFFVCFOFFU-VULFUBBASA-N	479.489	3.443	50	40	JGGB	
Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	409156667	LPKWYFJHTOILNV-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)cc1	9223755	WZPAVCALGLGOCB-UHFFFAOYSA-N	455.511	3.030	50	40	JGGB	
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)NNC(=O)c2cccs2)c1	9439880	ZPXQJUQQTYSNBB-UHFFFAOYSA-N	475.555	3.149	50	40	JGGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1cccs1)OCc1ccccc1	11511671	BRWYOGLNLDWLGK-NRFANRHFSA-N	482.631	3.324	50	40	JGGB	
Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1	12462822	QHVBEMHITCJJPL-ROMGYVFFSA-N	457.446	3.023	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)C2CCCCC2)cc1	13898770	XLVYNXKTKKOUJM-BUVRLJJBSA-N	457.552	3.167	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408611742	RZRDREWRCFIKPD-FVWOBLMASA-N	450.322	3.318	50	40	JGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I	408743890	VWLBIUWGVKGXLI-ZROIWOOFSA-N	462.243	3.389	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1	409131704	WOCXYWFSTDPVRC-OALUTQOASA-N	455.923	3.450	50	40	JGGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409248123	KBKRAOIGPQGPRB-KSEXSDGBSA-N	467.291	3.232	50	40	JGGB	
N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	920424	NFBYDCNKMLUUGN-XDHOZWIPSA-N	456.502	3.216	50	40	JGGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(Oc2ccccc2)cc1	8993033	DZWMKELIKJYRLF-MOHJPFBDSA-N	458.518	3.316	50	40	JGGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccccc1	9307917	OQJKNAHWAKOJND-JJIBRWJFSA-N	462.539	3.377	50	40	JGGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)Cc3cn4ccsc4n3)cc2OC)cc1	9403212	QGGLHXJTXLSWEN-DHRITJCHSA-N	478.530	3.463	50	40	JGGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1	12508292	RLGHMOPXXBDYEO-UHFFFAOYSA-N	467.547	3.117	50	40	JGGB	
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)=C\c1ccccc1	13510473	UTLCZXFNDBAKAD-JBNIWEKQSA-N	460.523	3.344	50	40	JGGB	
O=C(Nc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	100616948	BZMGXYYYUALMDF-UHFFFAOYSA-N	466.366	3.420	50	40	JGGB	
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	101873238	KIYFNBKONQMDDJ-ACPOTZPVSA-N	484.188	3.100	50	40	JGGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	409231654	DVOHGWSLNFGIHW-JWGURIENSA-N	462.575	3.398	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1	3060495	XRJIKLGPFPOOAQ-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
Cn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)c(-c3ccccc3)nc12	9158423	KAIJEGPQZKOXSB-UHFFFAOYSA-N	479.456	3.487	50	40	JGGB	
CCCCOc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	9590661	VHNURNDVAKFSCG-NTUHNPAUSA-N	485.493	3.190	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCC(=O)O	20195180	FTTJMDRRKNZVTF-LSHDLFTRSA-N	496.301	3.073	50	40	JGGB	
C[C@H](C(=O)NNS(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12	23249378	NDVQICVWCREHQI-WAIKUNEKSA-N	474.542	3.111	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2OC)Cc2ccccc2)cc1C	108936795	ILPDYRHJWUSKRH-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1	409120215	SKHYMNXLBJHBAB-MFKUBSTISA-N	472.954	3.479	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc(Br)c1O	3204563	VGPSROPZQINQSN-LPYMAVHISA-N	496.383	3.102	50	40	JGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(I)c2)c(C)c1	12403963	FVCUAOCZJGURAC-UHFFFAOYSA-N	465.291	3.088	50	40	JGGB	
N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1	13768771	OFJADUKJQVNYCS-ASNKMWSDSA-N	450.882	3.342	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1	15018828	YXEWBMKOUOJNRP-SFQUDFHCSA-N	455.898	3.132	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	20059755	LWUHNLAQTYDVBU-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	59960280	WINMDQBAHPWSRI-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	100958979	WPWLPVMDKRQMLK-VHWUNXFSSA-N	456.907	3.379	50	40	JGGB	
CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1	104645113	ZYOCZRGHGXAZDI-FXBPSFAMSA-N	455.536	3.164	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1cc(Cl)ccc1OC	408637431	KILAITRJAMOSHW-UHFFFAOYSA-N	459.959	3.109	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1OC	409356571	HPTFYXAUXCCDEC-NUGSKGIGSA-N	484.734	3.225	50	40	JGGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(I)cc2)cc1	3117360	ACHITHZPQFZWFH-UDWIEESQSA-N	451.264	3.169	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc(-c2ccccc2Cl)o1	9010160	YNDDTITUNZNIQC-UHFFFAOYSA-N	453.307	3.362	50	40	JGGB	
COc1ccc(OC)c([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	16034928	HLXJRGIADUBUFF-FPOVZHCZSA-N	461.522	3.364	50	40	JGGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	20059896	NSOCUYGVLOOZFB-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccs1)Cc1ccccc1	35088625	OQCIKDRIWQAVJO-UCQKPKSFSA-N	457.577	3.406	50	40	JGGB	
Cc1cccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	100591078	UNCGHKOJAIRPRK-KSENJXAKSA-N	484.188	3.100	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C	408611694	RQWLCVWYGAYISF-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(Br)c2)C(C)C)cc1	408756248	YIIOOKDHAXOAJE-IUOVYFEOSA-N	452.374	3.211	50	40	JGGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1	409003553	SPKNAFIQRVHJLF-VFADJPBRSA-N	458.902	3.343	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1	409255657	MPXGGXBFQSTDOO-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1C	409266844	LIDLOOQKOMOUAD-YEEYNWEUSA-N	458.946	3.339	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)o2)cc1	6599953	DLNFRRJZTVZNMI-MFKUBSTISA-N	483.546	3.348	50	40	JGGB	
Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)cccc2c1=O	17194074	MOLRVOVKLHXDJO-UHFFFAOYSA-N	466.453	3.080	50	40	JGGB	
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccc1	20573174	KOQLZMQHONHGIK-IIBYNOLFSA-N	462.506	3.138	50	40	JGGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccccc1	59490162	YIALVTDNYLNKIL-LPYMAVHISA-N	492.351	3.396	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408611933	SMDUMGKCOWTCRM-YHXLMIJNSA-N	468.312	3.457	50	40	JGGB	
CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	408646990	QWLCUMFJIXPUIA-UHFFFAOYSA-N	490.354	3.125	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cccc(C)c2)cc1	408774612	MPHDKCRVSKXPDC-AFUMVMLFSA-N	465.531	3.378	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1	408787218	VAWNNOYVCHSMDN-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(I)o2)n1	408953883	QLFJCDUFXNCRJI-FZSIALSZSA-N	495.140	3.296	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)ccc1O	409026601	UADOHUKXHFWGNG-MFKUBSTISA-N	467.547	3.439	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(F)c2)cc1	409120857	WKSOUOPFUBJYCN-WPWMEQJKSA-N	496.564	3.168	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)c2)cc1	409167664	JNEASNSHPDVONU-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409242328	QQSJKHJDHHFUIC-AUWJEWJLSA-N	489.282	3.437	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(OC)c1	409337939	ZWNKPQDJQKSAHL-LEEXQRRLSA-N	457.527	3.264	50	40	JGGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(OC)c(OC)c4)c(=O)c32)c1	2228776	GZKUCXGPFZTQGD-XMMPIXPASA-N	489.528	3.458	50	40	JGGB	
Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	9463473	CTQXGOYHIYVHLZ-UHFFFAOYSA-N	464.482	3.129	50	40	JGGB	
CCOc1cc(C(=O)NNC(=O)COCc2nc3ccccc3s2)cc(OCC)c1OCC	12880956	ZGODJTYFNKJMLA-UHFFFAOYSA-N	473.551	3.470	50	40	JGGB	
CN1CCC(=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1	20233204	DCFSVSKPRCDWJH-UHFFFAOYSA-N	469.394	3.387	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1	27574624	CXSRPPSYTDKHCD-UHFFFAOYSA-N	459.930	3.040	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1	58881741	PTNJBNMXURLXAY-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
O=C(COC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccccc1F	102268127	QNQDKGAKSVZXCR-RKOMNEFPSA-N	467.335	3.254	50	40	JGGB	
Cc1ccc(C)c(N2C(=O)C(=O)[C@@H](c3nc4ccccc4o3)/C(=N\NC(=O)c3ccccc3O)C2=O)c1	102943750	QMLXIABJHHORSX-FBNZYERFSA-N	496.479	3.162	50	40	JGGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408615412	QBIGDHSVACPLBP-AFUMVMLFSA-N	476.371	3.410	50	40	JGGB	
Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1Cl	408666399	ZHMZLPQCYMGCDR-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1	409010942	GJFQYFXIPYAXND-QFEZKATASA-N	462.462	3.450	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1	409014043	OQEWBYYGPZSBIQ-DHRITJCHSA-N	480.348	3.394	50	40	JGGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)c1C	409176262	ZKPNZOQKGOHUER-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)ccc3OC)[C@H]2C1	8411329	GORXTFOAHHXEDW-PKOBYXMFSA-N	482.338	3.340	50	40	JGGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NCc3ccco3)c2C)cc1	9221884	PCFSXAGXDJAWBI-XDHOZWIPSA-N	476.489	3.172	50	40	JGGB	
CCN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21	18192907	JHUKQHVLEFIXQU-QFCMYMGVSA-N	498.539	3.362	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	19952836	YULXBBIHUKMDNZ-YZSQISJMSA-N	465.579	3.273	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1ccc(Cl)c(C(F)(F)F)c1	20213420	SUKJHYUEWIJFMS-YSURURNPSA-N	491.875	3.046	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1	58882647	JFLWRPNOAHWSCU-YSMPRRRNSA-N	463.490	3.494	50	40	JGGB	
C=CCNC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NCC=C)cc2)cc1	225432253	ZAQASRUIGANOPC-UHFFFAOYSA-N	452.703	3.059	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)cc1	409154522	KGLDEDZENBLHTE-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409158814	ZAUGSTQKLBILIM-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1OC	409326225	INNHHCQOONETRU-NHDPSOOVSA-N	484.290	3.480	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1	13811067	ISYIGUFCWSCVRK-XGHPXPSOSA-N	456.907	3.379	50	40	JGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	19955393	LZALKGPRLFWAJO-WGOQTCKBSA-N	479.558	3.439	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)n1	28215098	VLTCPVVFRANVDC-BRJLIKDPSA-N	467.526	3.492	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1	408609003	IXSWTPAIMQWSIU-OUPCILMJSA-N	480.348	3.326	50	40	JGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OCC)c1	958029	WOOSAKYUPFNTIT-GHRIWEEISA-N	462.458	3.147	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1	2319345	DLHFEEFPJOYLPN-SRZZPIQSSA-N	460.357	3.496	50	40	JGGB	
C=CCN1C(=O)/C(=N\NC(=O)Cc2ccc(OC)c(OC)c2)c2cc(Br)ccc21	8721548	GJNKJAWGLSEZRQ-GFMRDNFCSA-N	458.312	3.062	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)o2)cc1	13402642	DGKXDOCGQVIQEZ-HMMYKYKNSA-N	456.502	3.109	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)O	59333227	YXNNBRCRMWWUDH-PDGQHHTCSA-N	469.925	3.458	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCC(=O)OC(C)C	408602894	OVIWOJHCKPOHLY-LSHDLFTRSA-N	465.300	3.258	50	40	JGGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccccc2OCC(C)C)c(=O)c1C#N	408603540	RQEDNYDKSQUGAL-MRUKODCESA-N	489.370	3.122	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OC(C)=O	408758052	GESBJQATIFDFGW-KEBDBYFISA-N	497.245	3.287	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1)Nc1ccccc1Cl	409152819	KCDJHVJJJJLBKE-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1	409160597	USCIETAYFGZVJA-BHGWPJFGSA-N	489.370	3.058	50	40	JGGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409169624	QISVAMFAKZMFOM-NSKAYECMSA-N	484.862	3.351	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)ccc1O	2121866	HCHJPRZFNATGBQ-REMUQMNCSA-N	470.323	3.342	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2	2254928	LIHOOOXDQACDML-QHCPKHFHSA-N	482.581	3.133	50	40	JGGB	
Cc1ccccc1C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c1ccccc1C	8397944	FAWYYSHSAMMRDW-UHFFFAOYSA-N	452.555	3.256	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(F)(F)F)cc1Cl	16187470	UJUDCSWYOWAZSC-RMORIDSASA-N	463.865	3.138	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c(OC)c1	20060560	ARYKUTGUMCCMEY-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OC)c2cc(Br)ccc21	20608609	RWMXTAQITACOPT-NMWGTECJSA-N	459.344	3.238	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(Cl)c1	1529545660	ACGQQYZJVPGYGM-PXYXSCDOSA-N	486.981	3.225	50	40	JGGB	
O=C(N/N=C/c1ccc(Br)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	633394	KVISTWXBBBJLBB-KKJJZKEWSA-N	470.776	3.406	50	40	JGGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1	3913877	XPNSYXXPBXGNMH-RGEXLXHISA-N	469.588	3.397	50	40	JGGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)CSc3nc(C)cc(C)n3)c3ccccc3C2=O)cc1	9493353	XDQKYUNJNDFMDC-BKUYFWCQSA-N	473.558	3.343	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1	19950655	GBVYBXQAYAALJH-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19951359	SAJKJHGCJYDCAD-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc32)cc1	101027876	PAKDHUFNFYMXHN-MEFGMAGPSA-N	490.497	3.096	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	138295062	ZJTGAWMXWZCBPC-PLACYPQZSA-N	474.860	3.267	50	40	JGGB	
CCCCOc1ccc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc1	408605957	ZMPQJABUOFKJQN-BRJLIKDPSA-N	489.370	3.267	50	40	JGGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)NNC(=O)c1ccccc1Cl	408661876	WFYHPQAENRKTHX-LLVKDONJSA-N	484.723	3.004	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br	408752851	CSXUJOCVQBGXEW-OZNZCJATSA-N	482.400	3.219	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)c(OC)c1	408875260	IFPUWRVPBNWTEJ-GIDUJCDVSA-N	460.870	3.053	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1	409153983	JKIGHWCQEWKZFG-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)o1	409165452	YJUGPVLCPYLBNU-ZFVWIKOCSA-N	464.434	3.161	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	889197	NQFZPSNLZDWOKT-LGJNPRDNSA-N	465.462	3.099	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C	9631365	ZFJLCWQUSVFGNX-XRJFYDJISA-N	495.502	3.229	50	40	JGGB	
CCCCc1nc2ccccc2n1CC(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1	9670092	KIXLJBGSIOVPQK-UHFFFAOYSA-N	456.546	3.462	50	40	JGGB	
Cc1ccc2nc(COc3ccc(C(=O)NNC(=O)CN4CCCc5ccccc54)cc3)cn2c1	10371613	IVLWTSQHZLXSPF-UHFFFAOYSA-N	469.545	3.436	50	40	JGGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	19955945	RYRIACJWKQPYSE-UHFFFAOYSA-N	472.567	3.285	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c(Cl)nc2c1	20209695	FRJSBQYRIAKZRJ-FOKLQQMPSA-N	481.361	3.467	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	30734404	SFHQOIUWQFIRFQ-ROXDEDHSSA-N	489.503	3.424	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1)c1ccccc1	33929319	FDHNEKOLEYORSG-BEBKROGQSA-N	472.545	3.099	50	40	JGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	103078515	AKJXKLYTKRYRBV-AQTBWJFISA-N	461.396	3.205	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408859348	SOMFOTJDJZJHNB-XIEYBQDHSA-N	465.531	3.194	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1O	408921877	JYBKUFOBZIEVNH-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
Cc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(C)c(C)c4)c(=O)c(C#N)c3C)cc2c1	409060397	RNFZFNKFMNVVKC-QDTIIGTASA-N	466.501	3.356	50	40	JGGB	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	4808194	SUYDMLDXAOBPDP-ZQHHLRAASA-N	483.399	3.014	50	40	JGGB	
CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(N)=O)(c5ccccc54)[C@H]3C2=O)cc1	13659162	JYTQCFBDNVXBDG-TZKIHMLVSA-N	480.524	3.290	50	40	JGGB	
C[C@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	16322119	XMALGSCTSPYXCW-MRXNPFEDSA-N	478.530	3.106	50	40	JGGB	biogenic
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccccc1	19926413	VHJYBTBSJCSSSD-WGOQTCKBSA-N	495.557	3.275	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)o2)cc1	20211754	PDYLXUDJNJUTJF-AFUMVMLFSA-N	487.509	3.179	50	40	JGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	20213605	YYNOWMDQOMKSRK-LGJNPRDNSA-N	462.453	3.446	50	40	JGGB	
Cc1nc2ccccc2c(=O)n1[C@H](C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1	32809657	NVOCPKUUPDMKDH-QGZVFWFLSA-N	456.502	3.159	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100769982	RBFGASJFBHLRGG-SAIMLQKYSA-N	474.554	3.229	50	40	JGGB	biogenic
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1OCC(=O)Nc1ccccc1C	408611688	RQISRUTWRCMJTG-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
Cc1c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)ccc(Br)c1Cl	408646893	QZOVZCJJVSHLFS-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(C)(=O)=O	408867910	MMCCEBSOOGMPCQ-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	408892864	KJIMAUPAVGKUGK-ZVHZXABRSA-N	473.986	3.313	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409170123	TVVQUWSXGDECFY-UVHMKAGCSA-N	488.972	3.287	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1	409260425	QCXCAPOXUQDVDI-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1435168	BIFDTZMLGTUESW-AFUMVMLFSA-N	477.429	3.358	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)c2)cc1	4520978	GLTLSXLYCLTDMZ-BUVRLJJBSA-N	466.519	3.218	50	40	JGGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccnc1	8820041	XDXSZUQSUWBCHZ-UNOMPAQXSA-N	498.586	3.033	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1CSc1ccc(Cl)cc1	9479200	HZNIMJAPLNTUFZ-KIBLKLHPSA-N	493.940	3.423	50	40	JGGB	
COC(=O)COc1cccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1	16157583	OEPXWQRYQBHIMI-UFFVCSGVSA-N	451.342	3.384	50	40	JGGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl	33634203	MZSNCAIKJCDYPY-XKZIYDEJSA-N	456.351	3.168	50	40	JGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58881705	XDRLTYUFRZIGIC-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59427928	OAKCZKGMPOMGJS-OVVQPSECSA-N	493.585	3.165	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc1Cl	100394202	AIFPQPZOOAEVOZ-MBBWPEKLSA-N	477.536	3.321	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	229859329	ZJTGAWMXWZCBPC-ANULTFPQSA-N	474.860	3.267	50	40	JGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(N2CCOCC2)o1	408853250	QJLNZABWOJPYHK-VXLYETTFSA-N	469.317	3.029	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1	409028240	KAMBZKDMRHCMFY-ZMOGYAJESA-N	474.970	3.376	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409153823	NIPAINPAJDWPHW-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
Cc1sc(/C=N/NC(=O)CCCC(=O)N/N=C/c2cc([N+](=O)[O-])c(C)s2)cc1[N+](=O)[O-]	2727505	YOHAYXRIOOHTQT-GCBPPVMSSA-N	466.501	3.014	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1	19947869	BDCOILOFVDPGRJ-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1	101317636	IMDUCHZVGXOYCB-SCQYRGFBSA-N	450.969	3.106	50	40	JGGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)c(F)c1	408968413	WKCDJOZAWNDEEF-QPJQQBGISA-N	499.090	3.450	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409218533	FRGUBGMSQRHAQI-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1	409260246	NGZJZPXGIUONMM-BTIIEKFUSA-N	495.363	3.384	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccccc2)cc1	6924798	BLCYCNLLGHERGL-UHFFFAOYSA-N	489.557	3.261	50	40	JGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CC(=O)OCc2ccccc2)c2ccccc21	8448708	ZSVGDLZLYJVNJV-MUUNZHRXSA-N	483.524	3.382	50	40	JGGB	
COc1cc(C(=O)NNC(=O)NCCSc2ccc(Br)cc2)cc(OC)c1OC	9584071	CAEXRGFLZQVYNH-UHFFFAOYSA-N	484.372	3.211	50	40	JGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1	12173119	OXUGFSBBBIUOPZ-JOCHJYFZSA-N	489.528	3.458	50	40	JGGB	
COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1	16215448	UUFHVRXDGFSBES-JLPGSUDCSA-N	459.568	3.178	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1O	18191716	SCJSRQRWAFIUTA-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1	58853924	CJLJVOKJJBELPZ-AFUMVMLFSA-N	472.542	3.158	50	40	JGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)NC[C@H]1CCCO1	58883033	DFGDPMHKKKFQSM-LDJYGULRSA-N	450.322	3.431	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	58884250	XSCJCDFUXAAAEV-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C\c1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	85886174	FDJHOPQTBYUPKU-FJLJVCJUSA-N	464.485	3.026	50	40	JGGB	
COc1ccc(C(=O)N/N=C(/C)CC(=O)Nc2ccc(I)cc2)cc1	103612843	LLLDJABFNCBXAE-MTJSOVHGSA-N	451.264	3.434	50	40	JGGB	
COC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408570800	YSHRBJSHMZIMAY-FSJBWODESA-N	476.576	3.255	50	40	JGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1C#N	408727929	ZQRQGOIVRVNTDI-GIDUJCDVSA-N	459.243	3.143	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	408759446	FEOUILBLHZRLKT-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1	408906489	BYXZIJXVGMKAHC-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1	409256617	PRKPISAODRQOLI-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1	409264235	PYEQBNDGJFLJPC-FDAWAROLSA-N	486.572	3.272	50	40	JGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1	2251672	FIDQMAQZQZXOKT-QHCPKHFHSA-N	459.502	3.449	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16691417	LXFRZPZEJJBFIT-KOEQRZSOSA-N	451.548	3.427	50	40	JGGB	
O=C(N/N=C/c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	58985789	QNOXOMIKHDZVQJ-KGENOOAVSA-N	450.358	3.000	50	40	JGGB	
O=C(CCOc1ccccc1)NNC(=O)COc1ccc(Br)cc1Br	1808101	UJKRYZCEZPQOCD-UHFFFAOYSA-N	472.133	3.207	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1	2072167	LMTDARMOIAUGNG-YDZHTSKRSA-N	463.406	3.284	50	40	JGGB	
CCCCOc1ccc(C(=O)NNS(=O)(=O)c2cccc(Br)c2)cc1OC	14244921	FEMCFDVXJCHDJE-UHFFFAOYSA-N	457.346	3.260	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1O	19953193	IIZQLDIONUMQKD-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1	19954975	WLXPCENIZKIIOQ-KGENOOAVSA-N	468.373	3.154	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)o2)cc1	20208004	UXIMQFIWGHQQKH-MFKUBSTISA-N	483.546	3.348	50	40	JGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	20233321	HPWANOIXSBDRCH-FYJGNVAPSA-N	458.521	3.310	50	40	JGGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Br)c3)CC2)cc1OC	409007154	UBCCIDGEDKMNOT-ZVHZXABRSA-N	474.355	3.469	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccc(F)cc2)cc1	409062404	UBGGOEGVDNLCAS-LGJNPRDNSA-N	483.521	3.204	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409063087	GSQDIJRKBUTIJT-JVWAILMASA-N	493.585	3.431	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(F)cc2)cc1OC	409111437	CSHVYMAHVNJBNN-VULFUBBASA-N	489.500	3.328	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)c2)cc1	409265899	WTKHOQDMPMXHFD-STBIYBPSSA-N	472.545	3.341	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1O	1086773	KQHYFHWMOXTYCV-LSHDLFTRSA-N	488.298	3.470	50	40	JGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(I)o1	1433741	AOWCNLSTHQEZAF-REZTVBANSA-N	479.068	3.184	50	40	JGGB	
N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)N1CCOCC1	2377307	CHELTDXPKTWWGR-FYWRMAATSA-N	481.306	3.015	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC	9586540	WSBDROIPPPYSBN-VMPITWQZSA-N	453.278	3.028	50	40	JGGB	
Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)COc4ccccc4Cl)CC3)c2c1C	10370630	BUCZNNYFJZIOQW-UHFFFAOYSA-N	473.986	3.404	50	40	JGGB	
CCn1nc(C(=O)NNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c2ccccc2c1=O	12741728	KOKYXNQNFKGDNE-UHFFFAOYSA-N	496.527	3.026	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20059903	OOAXGGGRRROTPW-LFVJCYFKSA-N	481.534	3.006	50	40	JGGB	
Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)NNC(=O)c3ccc(Cl)cc3)n2)cc1	27993310	QWKGETJNFWSGAN-UHFFFAOYSA-N	479.345	3.141	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)Cc2ccccc2)cc1OC	59443892	VOXHWSUUSWODFW-ZVHZXABRSA-N	487.603	3.415	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(O)cc1)Cc1ccccc1	110310845	XIBIFVFPIQNCIS-MYYYXRDXSA-N	467.547	3.050	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)O	408541691	FDNWLYOXOIFBOF-ACAGNQJTSA-N	475.251	3.165	50	40	JGGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408608986	ISONBZZLTITGKU-NUGSKGIGSA-N	456.699	3.407	50	40	JGGB	
O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408676685	BDQFFXGNVNUXNU-UPGMHYFXSA-N	476.348	3.029	50	40	JGGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(O)c(Br)c1	409143725	HHOMLMBDGVNBAJ-FBCYGCLPSA-N	456.090	3.339	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cc(C)ccc2C)cc1	409329357	DZUMCCHWSHWWIE-AZPGRJICSA-N	490.585	3.304	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1	19947666	KYYVFDQRQKBIAP-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1	20060573	SAAPPXUJUXVPTR-KOEQRZSOSA-N	450.564	3.407	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1OC	20211393	VXYOKPIZZPVUHP-JJIBRWJFSA-N	461.584	3.330	50	40	JGGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccc1	20573176	KOQLZMQHONHGIK-HRAATJIYSA-N	462.506	3.138	50	40	JGGB	
O=C(NNc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccc(Cl)c(Cl)c1	408726686	URRQAYNAHJSWFU-UHFFFAOYSA-N	475.340	3.329	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	408906299	GAGJKTRPHHAEGU-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC	408921930	LTTDXLYFOVHEHD-FSJBWODESA-N	486.377	3.483	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1	409352768	ZEFJXSHBHGCIOX-UHFFFAOYSA-N	456.612	3.344	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nc3ccccc3c2=O)cc1	2240202	QVLWMSLETNLQIR-DHRITJCHSA-N	476.514	3.048	50	40	JGGB	
CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)N[P@]1(=O)NCCCO1	4707330	ALDGFHDGYHJBJS-UULLZXFKSA-N	452.319	3.152	50	40	JGGB	
Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1cccc(Br)c1)C(=O)N2	8402425	CZSPZHUWRDYQMK-UHFFFAOYSA-N	467.117	3.371	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCC(=O)O	9202378	CMNROYRMJRPUDS-UFFVCSGVSA-N	482.274	3.226	50	40	JGGB	
O=C(CCc1nc(-c2ccc(F)cc2)no1)NNC(=O)Cc1nc(-c2ccccc2)cs1	10600562	BDAUWAZSJAQEGL-UHFFFAOYSA-N	451.483	3.322	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	15936942	GVKKYJUBZNRCGG-XBSHTGLCSA-N	456.502	3.372	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1)S(=O)(=O)c1ccccc1	58916089	TVSJVYDTWLAOOA-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
O=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	59921369	ABLMEXJPCLXXCC-XDHOZWIPSA-N	456.387	3.062	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(Cl)c(Cl)c1	408687930	VIDLNSSXBWRFHL-BANCJSOYSA-N	463.111	3.046	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408893766	HKNKDVKPVVWCHS-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409068246	IDLLCXAIEHLTAR-RAWMCFOBSA-N	470.367	3.104	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1	409175630	TYKBESZXDNVGEX-BHGWPJFGSA-N	495.761	3.096	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C#N)[C@H]1c1ccc(Cl)cc1	634229	VAMXNSAQFSUZDS-MAYQHFBPSA-N	451.338	3.168	50	40	JGGB	
Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1	725659	QQYMYTVWVYGFSJ-ROMGYVFFSA-N	457.446	3.023	50	40	JGGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770427	YIMFZXBGLUBLDI-UYAOXDASSA-N	492.532	3.283	50	40	JGGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)ccc1O	12275123	UGBZSKPNSYCGHT-FYSMJZIKSA-N	468.531	3.451	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1O	16693289	TUEYCOYZXPTHHL-NLRVBDNBSA-N	481.574	3.175	50	40	JGGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(O)c(I)c1	408775162	OOBDTMDJGCURRX-OQFOIZHKSA-N	482.059	3.033	50	40	JGGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408852392	KFOIUYIMPPBMAB-LICUMROXSA-N	467.327	3.086	50	40	JGGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408863954	RGIPTAPRBYWJOT-XYHOIZSOSA-N	471.322	3.205	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408998709	NTYVEXNNNMXIAN-OTZYPNAKSA-N	479.558	3.480	50	40	JGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/C=N/NC(=O)Cc1ccc(Br)cc1	9059450	PIZHEGFZCUFROS-VGENTYGXSA-N	480.160	3.201	50	40	JGGB	
CCC(=O)N(C)CCc1cc2c(c(OC)c1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)OCO2	9344995	WGVFHQKZJUSOHX-DGVUFRMYSA-N	451.523	3.089	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)COc2ccccc2C)C(C)C)cc(Cl)c1O	9763081	LUYZLGILJFIPNA-PXYXSCDOSA-N	461.946	3.423	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(Cl)cc2C)cc1	16309714	CHJNLPHZYDCHFM-UHFFFAOYSA-N	463.003	3.350	50	40	JGGB	
CCOC(=O)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408970339	GJXSHJWJFROSHW-YNYZQSIGSA-N	453.539	3.232	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnn2-c2nonc2N)cc1	2196184	YNUGDEQKKLYGIN-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
O=C(NNC(=S)NCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3214771	HWCRDGOIDGDXDE-UHFFFAOYSA-N	474.995	3.450	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2ccccc2)c1	8725671	OTRPKYLWYGEUHO-UHFFFAOYSA-N	471.560	3.049	50	40	JGGB	
CCOc1ccc(-n2c(SCC(=O)NNC(=O)c3cccs3)nnc2-c2ccncc2)cc1	12596919	VOPGOOQOSBXGRA-UHFFFAOYSA-N	480.575	3.343	50	40	JGGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	20209941	FVRBHYACNFEZDW-YBFXNURJSA-N	456.387	3.087	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)c2)cc1	89323105	FOKYWTRDFCGPNB-LFVJCYFKSA-N	452.536	3.326	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCC(=O)O	408965387	GTHGKFUYRYEXKK-NUGSKGIGSA-N	464.247	3.086	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(I)c1	409123831	IHTOBPFBTJPBLP-CIAFOILYSA-N	453.255	3.031	50	40	JGGB	
CCCOc1ccc([C@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1737934	XBTMHDZBIOQLFU-UGKGYDQZSA-N	461.522	3.366	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC	2085295	IDNVQQJKJAUKJY-FSJBWODESA-N	486.377	3.483	50	40	JGGB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1	3323792	PJNVPBPXALWSMC-UHFFFAOYSA-N	479.558	3.460	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	59366749	JWICLMGWBLNULE-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1	408920984	AIXCOKFHKCUCNU-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1c(C)cccc1C	409155296	IFUPXSYOGWANBV-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)c1	409167583	IVNMALUNXGDZIP-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409190718	QCQRFRXAKJQNOJ-ZVBGSRNCSA-N	455.692	3.427	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCC(=O)O	409243990	WAFRQMFFJWSVOW-YVNNLAQVSA-N	453.264	3.143	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1	409256620	PRKPISAODRQOLI-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	409258109	RJQWGJVMLZKRND-HURLIOHXSA-N	474.945	3.039	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1	1529544765	NRHJBHTYJDBRQE-AXDLBROPSA-N	486.981	3.225	50	40	JGGB	
COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)COc3ccc(C)cc3)sc2=O)c1	2221645	KXPHMJUDHAAASZ-BHGWPJFGSA-N	473.938	3.236	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(N)=O	33337834	VBWYNJLPTLJQSK-RMORIDSASA-N	460.284	3.222	50	40	JGGB	
O=C(N/N=C(/C1=Nc2ccc(Cl)cc2N[C@@H]1O)[C@@H](O)/C=C/c1ccccc1)c1ccncc1	104291231	LEKNKTRSTKTQQF-GFTVMJSZSA-N	461.909	3.412	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccc(F)cc2)cc1	409057615	VQVMJVVTTCKRFF-VULFUBBASA-N	483.521	3.174	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)c2)c1	409152331	DYDCYMRJRAFJAX-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1	409246975	AEWWZXOXURMURR-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
N=C(COc1ccc(F)cc1)NNC(=O)c1ccccc1OCc1ncn(-c2cccc(Cl)n2)n1	1391258	MFOPUAVGGWFOSM-UHFFFAOYSA-N	495.902	3.324	50	40	JGGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O	2401997	GHLICWMLRZLYJU-OBGWFSINSA-N	462.506	3.254	50	40	JGGB	
N#CC(C(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)=C1Nc2ccccc2N1	3363366	VVLWSAXHAWLTOO-UHFFFAOYSA-N	463.453	3.384	50	40	JGGB	
C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	3628409	YDCWKCCKSXFILB-IBGZPJMESA-N	455.264	3.417	50	40	JGGB	
O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12	9666130	DYOKABHYYQMXPC-UHFFFAOYSA-N	468.429	3.089	50	40	JGGB	
N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1	13768769	OFJADUKJQVNYCS-STTHAQSSSA-N	450.882	3.342	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c(=O)c1C#N	16266945	CZUGUJNTHSFGSD-BCHBDCPOSA-N	496.907	3.025	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)cc1	58873578	ZQIODDOSODIPCB-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	58881104	XBIKDBAKVKDRJD-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1	409137666	XUHZDRVXGTXLHY-RBUKOAKNSA-N	455.923	3.450	50	40	JGGB	
Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1	409151746	HYKIKRXZQJHQCL-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
COc1ccc(CC(=O)N[C@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	409153580	LUSOELVQWSCOAG-FRQJIFLKSA-N	464.478	3.369	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409264664	QYHSIWIDMVQXMK-CCVNUDIWSA-N	496.470	3.470	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	8871667	GSTAKPZPLNSYQJ-YBEGLDIGSA-N	490.950	3.301	50	40	JGGB	
O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1	100040436	RRZKLFPBOODDBE-UHFFFAOYSA-N	471.300	3.143	50	40	JGGB	
N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Cl)c1Cl	408851899	BIMWEGLDWUOLLH-PRWOLLLXSA-N	459.314	3.446	50	40	JGGB	
CC(C)CCn1nc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c2ccccc2c1=O	3279221	FNVKJQBLQLDXIA-UHFFFAOYSA-N	457.490	3.441	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(O)(c1ccccc1)c1ccccc1	8766957	ZWCVXRWOJHECCO-YDZHTSKRSA-N	470.279	3.449	50	40	JGGB	
Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1	9381799	INGFIUKWMWBORD-GJZGRUSLSA-N	460.581	3.160	50	40	JGGB	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(=O)Nc1ccc(N2CCOCC2)cc1	33530482	HIRFFMVKZIENTL-PYCFMQQDSA-N	469.545	3.454	50	40	JGGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1	59443938	FMMFGUABBVIMHD-YZSQISJMSA-N	481.574	3.435	50	40	JGGB	
O=C(CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)NCc1ccccn1	199413017	ICBSRFUEZXQMKP-UHFFFAOYSA-N	457.490	3.213	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1	409160868	ZVJQABONLISJNU-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409269222	HGTWRMLLGCETFY-PASSITCSSA-N	488.972	3.429	50	40	JGGB	
Cc1ccc(Cn2c(SCC(=O)NNC(=O)c3ccccc3)nc3ccccc3c2=O)cc1	3360808	HJXRREOXEMBYAR-UHFFFAOYSA-N	458.543	3.307	50	40	JGGB	
COc1ccc(CC(=O)NN=C2CCC(=NNC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1OC	12407012	NWGNUNLWXJXQMM-UHFFFAOYSA-N	496.564	3.025	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N2CCCCCC2)c1	16044769	IZJZBQHVBZTFBH-UHFFFAOYSA-N	459.612	3.229	50	40	JGGB	
C=CCN(c1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1)S(=O)(=O)c1ccccc1	19937015	YIBVINBOHMTTKC-UHFFFAOYSA-N	460.515	3.154	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19950753	HGWZSLUFUKBYBV-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
CN(NC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21	59417234	IXJJNYOFQFJXHQ-UHFFFAOYSA-N	469.906	3.285	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1	100957322	ISYIGUFCWSCVRK-FBJMNJBLSA-N	456.907	3.379	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408785933	JZHTWHAAMJDJIN-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C\c2cc(Br)c(I)o2)cc1	408955088	WAILUWLLMZANNI-IDUWFGFVSA-N	479.068	3.184	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1	409184764	NAZFLDBPJONQSY-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409188902	BXMCUVUZXKCYJQ-ZSOIEALJSA-N	451.317	3.365	50	40	JGGB	
O=C(COc1ccccc1I)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1	409234947	BFGUVKMATSMUDG-UUYOSTAYSA-N	489.269	3.309	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1445293	ULCNVDRUFAFXRE-BHSKHCGUSA-N	463.446	3.396	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(Cl)cc2)cc1	8915856	DGNZWKPDFKYKKE-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)c1cccc(C)c1O	9056936	PUJHPRCKAHKJMA-CIAFOILYSA-N	451.264	3.440	50	40	JGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	9461190	YJPZKETYVIKJON-HXUWFJFHSA-N	493.317	3.309	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1	28213895	XYILDVSVZWTZFB-BPDXMKQKSA-N	461.971	3.256	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c1	59436888	CBOXOHDGKGTNSH-BUVRLJJBSA-N	454.552	3.019	50	40	JGGB	
O=C1S/C(=C/c2ccc(OCc3cccc(B(O)O)c3)cc2)C(=O)N1Cc1ccc(F)cc1	207631412	VTNKMYWFWQTEHE-LPYMAVHISA-N	463.295	3.321	50	40	JGGB	in-vitro
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccc(Cl)cc1	408614912	JQRSOSXAGZQALH-VULFUBBASA-N	461.946	3.309	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccccc1	408782229	GGUHVGBADRADAK-JJIBRWJFSA-N	453.520	3.137	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1	409268178	RDGVCESSMWDCAR-IETDBYTCSA-N	464.444	3.088	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	16309152	WIEKCXZRQOBKPE-PCLIKHOPSA-N	451.548	3.345	50	40	JGGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	22802810	AZDSAVGKTKOSBI-MTDXEUNCSA-N	456.546	3.467	50	40	JGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(N2CCOCC2)o1	59249329	JQADITSBRSKWNB-KEBDBYFISA-N	487.148	3.414	50	40	JGGB	
CCOC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(C)c(=O)n(C)c1=O	100257360	USJZVTFUUMIONT-UHFFFAOYSA-N	487.496	3.070	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccccc1	408673154	ZAUXYCFEHLCQFR-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1	408770737	BRKLRKCCIOUARY-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C\c3ccccc3Cl)c2=O)=C(C#N)[C@@H]1c1ccccc1Cl	1037346	RXQCJLSGHBQUCF-PMEBHBLGSA-N	451.338	3.168	50	40	JGGB	
O=C(CNC(=O)c1cccnc1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	2254477	BKVNIYKAPSHFOT-ANYBSYGZSA-N	482.327	3.186	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnn2-c2nonc2N)c1	13811268	QXIIPRYHLIUEEE-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1	13882137	VFQBKLULCGYCTJ-CIAFOILYSA-N	480.262	3.459	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1	19950583	IVQLBMNFFDLLTN-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20209635	INQJMHCLVLMTGV-OQKWZONESA-N	453.948	3.054	50	40	JGGB	
CN(C)c1ccc(/C=N\NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1	105429779	ZPBQZICITOTQEU-IOYIXQNNSA-N	499.608	3.448	50	40	JGGB	
Cc1cc(-c2ccc(/C=N/NC(=O)CSn3nnnc3-c3ccccc3)o2)ccc1[N+](=O)[O-]	408732632	STWWCZUQRDCQMP-WSDLNYQXSA-N	463.479	3.463	50	40	JGGB	
CCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cccc1OC	408971649	KTUZIWISTPINKC-WNFNFYEPSA-N	455.555	3.462	50	40	JGGB	
Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccccc3Cl)o2)cccc1[N+](=O)[O-]	409172371	CZSUZOLJDCVWNG-OPEKNORGSA-N	470.869	3.462	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1	409247871	DEWWADMKUCAVHY-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1cc(Br)c(Br)s1	2752058	LYBATJLTTQPXCB-KPSZGOFPSA-N	470.146	3.133	50	40	JGGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	3115520	JZQFZNCGYSGLJC-WYMPLXKRSA-N	470.279	3.141	50	40	JGGB	
CCOc1ncccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	8824954	YRLSCKILVDRDQK-UHFFFAOYSA-N	474.546	3.281	50	40	JGGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1	16872847	INPNTRFOJCYUAW-CPNJWEJPSA-N	469.588	3.397	50	40	JGGB	
COc1cccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1OC	36235381	KZQWBJXAOGBJBO-AVHNSXRFSA-N	473.485	3.354	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(C(F)(F)F)c1	408782484	HLPKUTUOVKYZAQ-LSFURLLWSA-N	478.836	3.183	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1OC	409005738	KQYWYWXKVYMXRG-YZSQISJMSA-N	451.523	3.271	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	409143005	SXKNYCXBWJAZIL-WGOQTCKBSA-N	481.574	3.186	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1Oc1ccc([N+](=O)[O-])cn1	409234696	XHWQIGWHVFROIH-AUEPDCJTSA-N	468.495	3.440	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1	409270178	CVXZGSTXZLYMOT-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)c1	2632065	PBABEYZMAVMBFE-BUVRLJJBSA-N	467.503	3.031	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C	9631364	ZFJLCWQUSVFGNX-GMAZHJASSA-N	495.502	3.229	50	40	JGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1	15948493	MIEDEQXHKPOPBH-GOSISDBHSA-N	494.013	3.170	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	16691728	KAJFINQTINDMRR-CYVLTUHYSA-N	458.518	3.444	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(O)c2)cc1	59427940	JVSCWSXDUJRBGO-KOEQRZSOSA-N	451.548	3.084	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1	138971707	NRSSLUJGZUYOKM-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1	409256101	JRQONQGVLRLXJR-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1	409305897	XQMXHIKVLIOKMN-NHCUHLMSSA-N	480.542	3.332	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)NNC(=O)COc3ccccc3C)cc2)cc1	9128239	CNFABNLRXFJRMA-CXUHLZMHSA-N	495.557	3.044	50	40	JGGB	
CCn1nc(C(=O)NNC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c2ccccc2c1=O	17189899	YYXGLJXZJNTJNW-UHFFFAOYSA-N	467.938	3.197	50	40	JGGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	36379997	HDWFUMKKMNGEDS-XANGVBFFSA-N	492.410	3.128	50	40	JGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(I)cc2)cc1	100902269	JUQUCINGNSFBCS-CIAFOILYSA-N	451.264	3.434	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Br)cc1	408537075	UMBXMBTXWAVUIW-GNIOVPSRSA-N	497.227	3.083	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408830277	LURDWBPIQYOSAL-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	408878643	AFJFAIRSGWNKSS-WWJLXRQJSA-N	479.986	3.441	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1	408893362	MONWIDLMTQHPGK-YDZHTSKRSA-N	459.959	3.059	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2ccccc2Cl)cc1	409067839	ZTSITGDWRXJJKS-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc3ccccc3)o2)c1	409162231	YTKMJKJNOJCYFP-CIRUFVMISA-N	463.490	3.157	50	40	JGGB	
O=C(COCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12	1741489	HUEMOGJDVJPZNI-OCHFTUDZSA-N	470.485	3.021	50	40	JGGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)nc(C)n2CC	3314798	ZQHXAQALDJSRGQ-UHFFFAOYSA-N	481.372	3.149	50	40	JGGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	8452147	UWAPZLKCNULOLU-LGJNPRDNSA-N	467.547	3.367	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc3ccccc3nc2Cl)S(C)(=O)=O)cc1	9056581	JXPDKAGCFMGHSG-JMKVTYIUSA-N	460.943	3.202	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)cc1	12833730	HJAKNDGZOSFYSM-ZDUSSCGKSA-N	466.592	3.326	50	40	JGGB	
COC(=O)c1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1C	14921780	XUDIKIIVJFFWGL-ZVHZXABRSA-N	476.327	3.444	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1OC	19956931	CSHOQYNZZUTLPK-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)c(Cl)nc2c1	20208539	JATZNFQDMBLDLA-WYMPLXKRSA-N	474.970	3.430	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1	38163648	WIXKCMYMWGPLMM-LMZSMFKYSA-N	473.489	3.288	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1)c1ccccc1	58884454	FYZOKFSVKLMKAY-QYJXRTEHSA-N	486.572	3.142	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccc1	138637859	WOUGMBBLTVWDJV-UHFFFAOYSA-N	461.474	3.202	50	40	JGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1	408569649	PCLOMMNADZMVLQ-UCQKPKSFSA-N	488.591	3.439	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2Cl)c(C)c1	409262591	IZUUNRRSDHEREM-KKMKTNMSSA-N	482.924	3.334	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1	409273352	XNZHYYKBEOMQLK-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccccc2O)nnc1-c1ccc(OC)c(OC)c1	1477975	GFWBMEDSJZFQPD-OEAKJJBVSA-N	455.540	3.320	50	40	JGGB	
O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)Nc2ccc(I)cc21	2071423	BSZBQISXKYLVHB-UHFFFAOYSA-N	471.254	3.296	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1	2370145	CIFCBPXNIVTVMD-ITICKHJUSA-N	476.558	3.067	50	40	JGGB	
O=C(COC(=O)CCCc1c[nH]c2ccccc12)NNC(=O)c1ccc(Br)cc1	9467403	BQZHKFBACSBTTH-UHFFFAOYSA-N	458.312	3.258	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3cccc(F)c3)cc2)cc1	12867019	YUSLMFDOXQUZNU-UHFFFAOYSA-N	455.511	3.030	50	40	JGGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccncc1	13941928	TYGZBMXDDUSATR-OEAKJJBVSA-N	479.400	3.318	50	40	JGGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCN(Cc4ccccc4)CC3)=C2C#N)cc1	14111300	PAMGZHXRONLJOA-JOCHJYFZSA-N	460.603	3.411	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1	19951514	NIJVKAHCQXNYEN-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Br)cc1	33293705	KVIOQIVHSSKTSW-MSXFZWOLSA-N	496.789	3.472	50	40	JGGB	
C/C(=N/NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	96402022	UQRKTIRHBQXABZ-PKAZHMFMSA-N	482.537	3.384	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl	408612926	XMARJSDVNLPPIQ-JALYYJSPSA-N	480.348	3.326	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1	409249089	GOLWASMRNUFQKP-WGOQTCKBSA-N	460.490	3.192	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)c1	409268991	CNCOFQSUGGRJFO-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
CC(C)C(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@H](C)CC4	13502543	OAMPUFDYFWGASJ-GFCCVEGCSA-N	460.629	3.483	50	40	JGGB	
COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3cccc(C)c3)c3ccccc32)cc1OC	46085077	ZCTZPNVOJPMDLX-FVDSYPCUSA-N	459.502	3.458	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc1Cl	226382247	AIFPQPZOOAEVOZ-PFWIPMOTSA-N	477.536	3.321	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=C/C=C/c1ccccc1	408953193	WZQLIEZDWFLMEQ-OHTNWAATSA-N	478.574	3.237	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1O	409170995	YCGYXESTWCHZPL-UFFVCSGVSA-N	481.290	3.101	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1	2221932	YBMULLOVWRPDPZ-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc(OC)c1OC	2316778	MGURWVUHFJQBJB-FOKLQQMPSA-N	475.958	3.404	50	40	JGGB	
CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1	2450568	KHAFZMPTVIATKP-BHGWPJFGSA-N	498.956	3.341	50	40	JGGB	
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	3374762	WKONREOIHJLFLX-UHFFFAOYSA-N	453.495	3.282	50	40	JGGB	
O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1	8958797	XFAQPMWUMIVNNA-QHCPKHFHSA-N	496.523	3.334	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C	408610227	MWFPUUYWFLEIPQ-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)c1	409257289	PURHCOZXHHJGRK-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc(NCc2ccccc2)s1	9244751	NYYNAMMGXBWUMD-UHFFFAOYSA-N	463.972	3.122	50	40	JGGB	
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OC	9713746	WPRNDGBCBUJMIO-UHFFFAOYSA-N	485.537	3.120	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC	12521051	AMDGLVNNMRUYFM-UHFFFAOYSA-N	475.548	3.031	50	40	JGGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1	13777623	UZZHDKOATJKBAH-NKAIQICCSA-N	450.882	3.342	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	20059658	RHCABJRLPIJAFW-LFVJCYFKSA-N	453.520	3.404	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC	59516163	CKYWVMLHFSKRCV-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1	408711809	LSELMQMYKONINY-JAIQZWGSSA-N	454.264	3.097	50	40	JGGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1[N+](=O)[O-]	408756302	PTYMLGMCSVCQIY-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408891075	KYSRAPTZEFNDRF-ZVHZXABRSA-N	499.501	3.452	50	40	JGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)O	409241106	ISVAEMXXFNHHMT-JYQBEENSSA-N	451.273	3.082	50	40	JGGB	
COc1cccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)c1	1304769	MJNDIPIXCPMJHT-GZTJUZNOSA-N	475.979	3.401	50	40	JGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)c1	1445368	WGFZYFJUFVEEOF-AFUMVMLFSA-N	479.445	3.360	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1CSC1=NCCS1	2406743	PUKCLIRXOIQZCJ-GGPGUOJZSA-N	476.584	3.464	50	40	JGGB	
O=C(NNC(=S)NC[C@@H]1CCCO1)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1	8782502	JFGMBIGCZZPRPU-SFHVURJKSA-N	476.606	3.463	50	40	JGGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)OC3)c2ccccc21	12361931	GQYASQMJCHBIPE-XMMPIXPASA-N	477.307	3.236	50	40	JGGB	
Cc1cc[n+]([C@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)C2CC2)cc1	100838079	YRMQUXKRACSHCV-XWGVYQGASA-N	474.362	3.471	50	40	JGGB	
CCOc1c(I)cc(I)cc1/C=C(\C#N)C(N)=S	408541921	FWCBFZBXIKYAMB-FPYGCLRLSA-N	484.100	3.488	50	40	JGGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	408748234	AOBZVVKFNOLZIS-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)c1	408875051	CAHWSCSGAKPRLJ-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	409013801	VTJRIZNTZSJOIU-WPWMEQJKSA-N	460.534	3.096	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I	409223291	YSXAMMSLUZVMDQ-DJKKODMXSA-N	470.336	3.339	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1OC	1089148	OFOWCGWLPDYDMY-SSDVNMTOSA-N	488.298	3.383	50	40	JGGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1	12557292	BBGGUHQAXJRJEG-UHFFFAOYSA-N	467.547	3.117	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(Br)c(Br)c1O	15223113	CLLAVPYHSSCKIH-UAWPZABVSA-N	460.122	3.128	50	40	JGGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	19852787	MADHSJGAYLGOTF-OAQYLSRUSA-N	491.548	3.107	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)o2)cc1	20207423	RCYYXUCIGAOEPZ-BUVRLJJBSA-N	469.519	3.040	50	40	JGGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC	58882788	XVCKRFZDQVYEOT-MIXAMLLLSA-N	475.545	3.134	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Cl)c1OCc1ccc(Cl)cc1	408609818	SDDBXNIJNBRLEO-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
COc1cc(Cl)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408869732	SYSGNSJPEWQGLR-FZJZADEZSA-N	486.377	3.314	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	9634650	RIFLLMNZWOQUHI-PCLIKHOPSA-N	473.562	3.050	50	40	JGGB	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	9885388	CVHSXXURRSCGOF-FQEVSTJZSA-N	484.541	3.198	50	40	JGGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1	10476041	DVUNJTKQVIHSJY-ZMOGYAJESA-N	493.354	3.491	50	40	JGGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1	12250476	HRRCEUPSERTLJE-INIZCTEOSA-N	481.530	3.201	50	40	JGGB	
Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1	13957656	GOIWHYWGCSBBKT-RUZDIDTESA-N	488.569	3.421	50	40	JGGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1	16128204	NWLOYRZXVFIMCH-UHFFFAOYSA-N	479.967	3.073	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1	16577083	WLOACDPVUZMKCK-HAVVHWLPSA-N	467.975	3.362	50	40	JGGB	
C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(OCC(=O)N(C)C)cc1	36308830	JELYIGLDMSPRLO-PGGKNCGUSA-N	458.733	3.245	50	40	JGGB	
COc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc(OC)c1OC	100971038	BVSWMEJCYZLJQA-UNOMPAQXSA-N	481.534	3.253	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408609968	MGILZGFVMBJINZ-HDDDNDSPSA-N	450.322	3.318	50	40	JGGB	
COc1cc(OC)cc(C(=O)NNC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c1	408638247	QGEUMKXXRLHUCE-UHFFFAOYSA-N	492.941	3.181	50	40	JGGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408736282	AECIBJCGJGDJPM-ZDZUNBPVSA-N	467.482	3.225	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OCC)c1	409158483	XMVXCUBOXGLPFB-JVWAILMASA-N	468.554	3.032	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409261643	CHSXSEXSODKBGR-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1OC	9110756	VLGCNIUJRVEJBD-VXKWHMMOSA-N	479.558	3.422	50	40	JGGB	
CCc1ccc(/C(C)=N/NC(=O)C(=O)N/N=C(\C)c2ccc(CC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	12413468	QHHVAPFCKPNUGG-RNIAWFEPSA-N	468.470	3.008	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	19948100	WZJAENPEVOZEGV-PCLIKHOPSA-N	465.531	3.266	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OCC	20212721	FFAGLDIHBOHQJV-YDZHTSKRSA-N	467.975	3.362	50	40	JGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	58918400	LRHTXYQZHCUOAG-FYJGNVAPSA-N	458.521	3.310	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2)cc1OC	59516151	HPAZZJZDJUZJRW-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Br)cc1	408579723	OMZWFEMCTAYGNG-LBPRGKRZSA-N	481.144	3.026	50	40	JGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408784920	DGJRQJLYUBFHIQ-WSDLNYQXSA-N	492.351	3.050	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	408924706	LSSOADLXMMPYJC-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	409186136	XHRLQKUGIBLJHO-CVKSISIWSA-N	485.537	3.330	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	409250385	KSSVOMYRXKIYKA-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	1307091	NISATUKQYLSRNM-FAJYDZGRSA-N	460.921	3.180	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3c(F)cccc3Cl)nnn2-c2nonc2N)cc1	2224783	BGIYSOMRYAWWNI-OPEKNORGSA-N	484.879	3.245	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C[C@H](C)c3ccccc3)c2)cc1	12605773	ZKTIBMHZSUYSRC-KRWDZBQOSA-N	467.547	3.451	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	16309147	HQDWGKPPKRGORW-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	409169830	SCBVAJDDTFFKGT-KBKYJPHKSA-N	495.363	3.304	50	40	JGGB	
CC1(C)OB(c2ccc(-c3ccccc3)cc2C(=O)NNS(=O)(=O)c2ccccc2)OC1(C)C	1857794473	JLOYXFSHXGMLGY-UHFFFAOYSA-N	478.379	3.276	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1	8819905	WACNMQQXVAVZAH-CYVLTUHYSA-N	484.603	3.313	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1	19949127	KFRGNJCLFPMLNF-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1	58882798	JCUIZAVYPYYSAA-YUMHPJSZSA-N	477.517	3.423	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(OC)c1OCC(=O)O	59249731	QPYNJZJJYCYDAM-FOKLQQMPSA-N	477.311	3.179	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC	95544258	YIVCFUICKOUOQK-GRIZMQLISA-N	464.566	3.472	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100771204	XPEVAAIZVBFUGG-QJMMZKFLSA-N	497.585	3.279	50	40	JGGB	biogenic
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C3=C2CC=CC3)cc1	101181535	OYDKEEMNQVSCHZ-MEFGMAGPSA-N	492.513	3.081	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCC(=O)Nc1ccccc1C	408612649	WLDRXSLVCASNEV-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(OC(=O)c2ccccc2)cc1	408688684	WOWWBRRLTPUQBH-VTLVALNESA-N	499.313	3.203	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	408768869	KQHQAHCTFBKSOR-KOEQRZSOSA-N	466.563	3.107	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c2ccccc2)cc1	408977068	CSEDUUSCYWCOTR-UDIPQKBFSA-N	482.518	3.169	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1O	409114234	DVLMNFDKSWMEST-WGOQTCKBSA-N	481.574	3.441	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1cccc(Cl)c1	409160085	SLNASLMAUJKTGT-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1	409170594	VPTLWWFSVSYYEM-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1cc(Cl)cc(Cl)c1	409270544	QSAJAGZTPICKPI-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
O=C(CNC(=O)c1ccccc1F)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	13134670	XGFBUTIMYREPAO-UHFFFAOYSA-N	455.873	3.249	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)s1	15822097	XTCQQVTUANVJAZ-SFHVURJKSA-N	491.541	3.308	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	19926419	HENCGUMJKQTJAD-AFUMVMLFSA-N	481.530	3.078	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1C	19949416	BJZQXKIOOQKTQA-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1	23471833	VFQOJIWPKSANIM-WGOQTCKBSA-N	458.006	3.160	50	40	JGGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1	27021893	UKHCRLSLDQBKGR-HMMYKYKNSA-N	475.574	3.367	50	40	JGGB	
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O	100771453	CFNIGCYRNHVPFF-GZFMCDGLSA-N	497.585	3.133	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408607578	NGBJKXZPKXGLEE-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(Br)ccc2O)cc1	408760056	QSWYMEHOINLIHD-FNLSEGDXSA-N	482.400	3.306	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c(OC)c1	408860980	KAIPOHZRUTUGCQ-HYARGMPZSA-N	459.549	3.111	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	408861208	PMMWRJOZSGLDLN-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(F)cc2)cc1	408863764	QLOYVGFHVYUBKF-CVKSISIWSA-N	483.521	3.251	50	40	JGGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])ccc1OC(C)=O	409219280	PCRVOYFPDRGNFR-FMCGGJTJSA-N	467.390	3.105	50	40	JGGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	9127428	TXGGYPOENXQFEF-CAPFRKAQSA-N	496.589	3.016	50	40	JGGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1OC	9980242	MHBBKYYPBBRVQM-FGZHOGPDSA-N	495.557	3.204	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	20499733	XPFYCHICYNHGHQ-CVKSISIWSA-N	483.521	3.405	50	40	JGGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C\c1cc2c(cc1Cl)OCO2	33345529	APOQRHFQYPARKG-SWNXQHNESA-N	456.636	3.269	50	40	JGGB	
COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccccc32)cc1	101085358	HPUVIJYCKWYLGX-TVFTXGDZSA-N	477.565	3.136	50	40	JGGB	
Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NNC(=O)CCC(=O)NC(C)(C)C	199412445	LMPBYNINVWIRNR-UHFFFAOYSA-N	464.566	3.440	50	40	JGGB	
CC[C@@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	217488402	CFNIGCYRNHVPFF-XFAWPCANSA-N	497.585	3.133	50	40	JGGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(I)o2)cc1	408949780	CEOROXAYQFDLCV-IUXPMGMMSA-N	463.069	3.348	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1O	408966805	NNQLUDNCIADTGZ-ZVBGSRNCSA-N	453.211	3.170	50	40	JGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)S(C)(=O)=O	409116954	MRBNWJIPMSGVLG-AFUMVMLFSA-N	465.531	3.454	50	40	JGGB	
C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409130518	WEPSLUJWYKFYGT-HNNXBMFYSA-N	464.263	3.114	50	40	JGGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	409144929	QOKVGRQIAQEHFJ-DRPUNJSNSA-N	455.580	3.300	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409273250	WPJQAXBDSRCGRY-NLOAGFHQSA-N	488.972	3.429	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c(Cl)nc2c1	3304586	QKPYQFRJGJWPJD-WYMPLXKRSA-N	474.970	3.430	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1	13138080	QXSKRDRKPGAYFF-UHFFFAOYSA-N	487.965	3.292	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19949759	FBZLGDNWTSZCML-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1cccs1)OCc1ccccc1	24749101	BRWYOGLNLDWLGK-OAQYLSRUSA-N	482.631	3.324	50	40	JGGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	58881323	XLMMRRFLXSXGPR-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1cccc(I)c1	408772615	DNWNABGBTXAAAS-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1	409318989	ZJJAXNFGOCTBHO-SFHVURJKSA-N	451.504	3.192	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccccc2F)cc1	2173154	MIXISLNUQGTNHE-CVKSISIWSA-N	483.521	3.251	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@@H]2C1	8411510	BEWXKIPKSQXURN-QZTJIDSGSA-N	452.312	3.331	50	40	JGGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sccc2C(=O)NN(C)C)cc1	8683803	BTYZVZIJHQEAMH-UHFFFAOYSA-N	458.565	3.316	50	40	JGGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C)cc2)cc1	20232270	UUNRHRSHYRWTCX-BUVRLJJBSA-N	454.577	3.458	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1	35005404	PBTNMCSWKQADQW-HMAPJEAMSA-N	455.448	3.135	50	40	JGGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	59401607	XYIWGRKCRWXYSQ-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
O=C(CCC(=O)N1CCc2ccccc2C1)NNC(=O)COc1ccc(-c2ccccc2)cc1	199417944	HFXHAAFQRBWMIV-UHFFFAOYSA-N	457.530	3.245	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2)cc1OC	409140859	GJEBXWUYJYWLRT-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C	409163072	LOOUSQKFZNWSHC-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2)cc1Cl	409251232	OYXSJOFCTJBUKF-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	3144135	GOLHDOACARIKPG-QFIPXVFZSA-N	458.518	3.155	50	40	JGGB	
Cc1cc2c(c(=O)n1C)[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9743098	ZDNBCWWBWOMHEG-RUZDIDTESA-N	458.905	3.266	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1	19953739	SYGZDTWFRAVFPP-HADWXUJASA-N	468.373	3.153	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1	408609541	KDVLTDRMNVAIPT-LGJNPRDNSA-N	458.946	3.341	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccc1Cl	408922444	AXGPMZVOMAOJPW-LSFURLLWSA-N	478.836	3.183	50	40	JGGB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)C1	8739924	BGDQKJOVXBXODM-AZGFIHASSA-N	491.592	3.138	50	40	JGGB	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1	18098425	OMQGHHMGULVXGY-UHFFFAOYSA-N	468.318	3.140	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O	20210404	KEGHUGRQMMJRKX-MFKUBSTISA-N	451.548	3.253	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	20213499	NPHKQYMSCMREHU-LHLOQNFPSA-N	482.562	3.225	50	40	JGGB	
O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1cnccn1	67194080	HATAXYBTLXOWBN-LMXLVEHLSA-N	478.926	3.234	50	40	JGGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1	107645317	XUNJZBLRSRCTIX-ITYLOYPMSA-N	465.575	3.220	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(C)(=O)=O	408777536	BMZJVPBVIHHMAG-KGENOOAVSA-N	452.374	3.318	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1	408909059	GIKORLSUVHYOJX-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)c1	409150928	FCAMQDVJOYVIOA-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	409164593	KRPFJQWJXILXNG-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	9507362	WQEIKKBBZNTOKR-UHFFFAOYSA-N	496.570	3.265	50	40	JGGB	
CCCOc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1OC	12697210	LUBQRMMYAALHGJ-UHFFFAOYSA-N	459.506	3.352	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1	13136397	AACBBVORPYYWAY-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cn(CC(N)=O)nc1-c1ccccc1	22707860	LQERKULAXSRFFL-LJQANCHMSA-N	471.908	3.297	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	59246621	WYLKNQSMLMIXTN-MYKKPKGFSA-N	466.321	3.053	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC	59444708	QZDUYEHHYLXTLI-CVKSISIWSA-N	463.490	3.380	50	40	JGGB	
O=C(N/N=C(/C1=Nc2ccc(Cl)cc2N[C@@H]1O)[C@@H](O)/C=C\c1ccccc1)c1ccncc1	104291225	LEKNKTRSTKTQQF-SZSPRDGKSA-N	461.909	3.412	50	40	JGGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1C	408586070	BFDVQEATAKKLNH-WYMPLXKRSA-N	450.451	3.432	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	408644901	IHKCLYIXRURZCU-UHFFFAOYSA-N	482.320	3.115	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1Cl	408741222	KRZWGDGYAWFCGB-OFOCJOHBSA-N	469.737	3.427	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408774963	DUKAHVONWPDXQS-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)cc(OC)c1O)c1ccccc1	409004904	YFXXYEJQNZPEHW-BFTVFPACSA-N	464.316	3.491	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc3c(c2)OCO3)cc1	409224274	JQEHACDEQYGFLJ-ROTLSHHCSA-N	490.428	3.265	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	409264028	KFRCZGSRNKCPES-BTIIEKFUSA-N	495.363	3.384	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409271946	WOJQXSLZHKTEFH-IETDBYTCSA-N	464.444	3.088	50	40	JGGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O	711107	CSDPNCACEIGLOG-DNTJNYDQSA-N	453.090	3.318	50	40	JGGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1	2286841	WLITWKIBCADHCB-DRYQFIFGSA-N	486.278	3.134	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1O	14166418	FQEZGRNSYUBJPX-XQNSMLJCSA-N	468.491	3.036	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1	16187058	ONSVSJSDVQOTIT-WSDLNYQXSA-N	456.351	3.329	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	19816717	JFUHVOXODWLXRE-CVKSISIWSA-N	483.521	3.266	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	20059213	KLWOYIBFNWIZLP-KOEQRZSOSA-N	450.564	3.483	50	40	JGGB	
COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1	30734362	PVDHYXFUEBDLFE-FBGCXINOSA-N	475.476	3.033	50	40	JGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)c1	106274067	APSRBSVJFNPSLP-MMOHFDRGSA-N	497.511	3.171	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C	409155402	IPMMTBZNILBSRM-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)cc2OC)c1	1435347	UBRLMPVCKSHDJT-SIBVSACJSA-N	462.458	3.213	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(OC)cc3)c3ccccc32)cc1	2442493	MUQBBTNRJMFSNF-IZHYLOQSSA-N	480.524	3.488	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	8826721	SAQGSBVFHUTBKZ-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
CCN(CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OC	9178123	AANWAUFZDZKTBT-LJQANCHMSA-N	453.543	3.181	50	40	JGGB	
CCOc1c(Br)cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1OC	408873927	XJWKPRJZKMXNCR-AFPJDJCSSA-N	450.289	3.147	50	40	JGGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3c(O)ccc4ccccc34)CC2)cc1OC	408970253	DOKUJQLBDIEDGE-WGOQTCKBSA-N	497.573	3.114	50	40	JGGB	
CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	408994198	HDTSXXJORWQKNV-FSJBWODESA-N	458.540	3.272	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)N1CCOCC1	409009376	DYRJIYCAGDXYPJ-STZFKDTASA-N	463.534	3.485	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1	409131710	WOCXYWFSTDPVRC-RTBURBONSA-N	455.923	3.450	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409162989	KILAIHQEKWLUQK-OPEKNORGSA-N	495.363	3.384	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1OC	409318761	YAHDPQZGTPOCBT-JMIUGGIZSA-N	470.263	3.090	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1	1960419	POACSIDEYYXJKX-CIAFOILYSA-N	465.291	3.477	50	40	JGGB	
O=C(NNc1ccccc1C(F)(F)F)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	19162803	NVQBRBALAPTOBF-UHFFFAOYSA-N	452.458	3.010	50	40	JGGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1cccc(Br)c1	19955433	TUZHHQVYWVNYIM-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)c3cccs3)cc2)n1	40024716	WHTUKSGIXUIHQX-OAHLLOKOSA-N	469.592	3.027	50	40	JGGB	
COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)cc1	408683294	LCADLTCPSWNXIC-MUJBESKKSA-N	485.334	3.457	50	40	JGGB	
COc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)c1	408689184	XTJRVLKRMPQTGF-PJBUMPDVSA-N	485.334	3.457	50	40	JGGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4ccc(C)c(C)c4)o3)n2c1	408831441	VRKUJHCWCNUEFY-QDTIIGTASA-N	486.532	3.180	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1Br	408873617	TYBUNKGXXDRIHN-WSDLNYQXSA-N	477.340	3.091	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1	409153605	LWIHGQXPLGSHMW-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OCC)c2)cc1OCC	409318321	VOWFFRHEYOVPPR-ROTLSHHCSA-N	463.918	3.164	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OC	409321070	GMFKIJTYWCEWJJ-JMIUGGIZSA-N	470.263	3.177	50	40	JGGB	
CO[C@@H](C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1)c1ccccc1	1013950	HPTZLUZFLFTHCS-VDCRKNFNSA-N	458.518	3.362	50	40	JGGB	
CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1	9963062	RFUHNENAHRVCGW-UHFFFAOYSA-N	459.351	3.158	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	19956958	RLCZGUVYDLMFHK-HZHRSRAPSA-N	452.492	3.325	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@@H](C(C)=O)[C@@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	100363611	HAHWMQFIDWVHBU-JCLUSVEDSA-N	453.580	3.055	50	40	JGGB	
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]5I)c([N+](=O)[O-])c1	105590026	ONQRMRLNRDSIAF-SNFRAQNKSA-N	466.235	3.462	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1cccc(C(F)(F)F)c1	409257824	VIUAELZFQBXYHA-KVSWJAHQSA-N	488.422	3.082	50	40	JGGB	
COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1	2286992	QNAGIMOPIGYWJC-FAJYDZGRSA-N	476.920	3.146	50	40	JGGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	9720858	UGFNBTUBACYZPY-ZVHZXABRSA-N	478.417	3.424	50	40	JGGB	
O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)NNC(=O)c1ccccc1	9987310	NRYPGYXTRTZVPB-UHFFFAOYSA-N	496.863	3.119	50	40	JGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc12	12412702	OBWODKLMNIJPBW-VWLOTQADSA-N	492.919	3.124	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2c1=O	17397733	OKNNRPLWXUVIGA-INIZCTEOSA-N	495.967	3.054	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC	19956145	CXITVDGQDJHSAO-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
O=C1NC(=S)NC(=O)C1=CNc1cccc(Sc2ccc3c4c(cccc24)C(=O)OC3=O)c1	104659333	XCMNLMWAOYGWMR-UHFFFAOYSA-N	475.507	3.128	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OC	408758448	KCGQICNLBBHSNH-VXLYETTFSA-N	469.235	3.371	50	40	JGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)O)cc2Br)cc1	408798620	WHAUTLWWFUPXJK-VGOFMYFVSA-N	489.278	3.253	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1	408847985	XOSXTNJMJRCNHM-ROTLSHHCSA-N	465.462	3.028	50	40	JGGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408851853	GRYLUFHBKMKUGB-UKWGHVSLSA-N	464.215	3.265	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OC)c1O	408970171	BYFRIQIPGRNLQH-NQLRXCNRSA-N	467.566	3.498	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2)cc1	409115610	SLLIXYUGDIYXFQ-BUVRLJJBSA-N	451.504	3.282	50	40	JGGB	
COc1cc(C(=O)N[C@H](C(=O)N/N=C/c2ccc(Br)cc2)C(C)C)cc(OC)c1OC	3203125	KIYDKGJXFSBDLT-OGBFJMLUSA-N	492.370	3.380	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC	9204648	FMGFKMXYTHDNJE-YDZHTSKRSA-N	463.328	3.483	50	40	JGGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4OC)c(=O)c32)c1	9971042	DFKRKHMCYINSOE-HSZRJFAPSA-N	459.502	3.449	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1OC	13138377	OXMASFHVSKLZBM-LFVJCYFKSA-N	453.520	3.293	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20059762	HYJYDFGBUOLDQK-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(OC)c1	20210844	GITIMXAVZKVKLA-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccccc1OCC#N	409000305	VBMZKRBJVFXMHU-WNFNFYEPSA-N	452.511	3.149	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409019234	ILIAZUYITAKNEU-WGOQTCKBSA-N	468.554	3.233	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1	2082980	IKTDMTTUDKIFPX-HXUWFJFHSA-N	471.429	3.173	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C2\CCc3ccccc32)c1CSc1ccc(Cl)cc1	9307221	JJZCQZSACJWDJF-LFVJCYFKSA-N	480.941	3.259	50	40	JGGB	
COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1	12275343	ROAWDCQVWQMBLZ-MZNJEOGPSA-N	466.515	3.134	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1	20210033	FNABKIKYTGMXQX-PCLIKHOPSA-N	467.547	3.191	50	40	JGGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1	21969112	UUOKJVIUMJVTMT-UHFFFAOYSA-N	479.892	3.423	50	40	JGGB	
O=C(NNS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccc(COc2ccccc2)o1	24370917	QJWVBHQXGPGIRQ-UHFFFAOYSA-N	456.398	3.381	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)ccc1OCc1ccccc1	33736691	UFCVMHDCZQUXFK-XYGWBWBKSA-N	473.595	3.319	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1Cl	139130866	OZMQLVCBHJTIKP-AFMUBRCDSA-N	454.910	3.189	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1	408782811	ZETGRWFYAWUUMS-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Br)cc2)cc1	408862928	JOQYDJVIHUAUFY-ZVHZXABRSA-N	487.379	3.498	50	40	JGGB	
Cc1c(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(Cl)nn1-c1ccccc1	408893192	KZRZCJQNKQDSRN-FSJBWODESA-N	480.377	3.404	50	40	JGGB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(SC#N)c1O	409045147	HVJPGFFPOJCANP-MLPAPPSSSA-N	474.292	3.403	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC	409221752	AGNCUYOUAQZNEL-ZVBGSRNCSA-N	455.692	3.427	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1OC	409327842	WZQZNFUTKMINQB-JJFYIABZSA-N	463.284	3.250	50	40	JGGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)c1O	1091827	XZWBDPFSFTTZRH-UFFVCSGVSA-N	474.271	3.080	50	40	JGGB	
CCCOc1ccc([C@@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1737938	XBTMHDZBIOQLFU-SIKLNZKXSA-N	461.522	3.366	50	40	JGGB	
COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc1OC	13132811	HPPZKURRTOCIBJ-MRXNPFEDSA-N	454.284	3.470	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1OC	14408681	TVWYIVOFYUBCLR-ODCIPOBUSA-N	471.691	3.132	50	40	JGGB	
CCc1c(C)nc(SC/C(=N/NC(=O)c2ccc(O)cc2)c2cccc([N+](=O)[O-])c2)[nH]c1=O	17163174	XXNGKOFNVNONDP-PLRJNAJWSA-N	467.507	3.181	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	19952311	KXUFAHOJIOXOLH-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2)S(C)(=O)=O)cc1C	20059252	PVOIFXIODNMTHU-UHFFFAOYSA-N	476.558	3.356	50	40	JGGB	
COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccc(F)cc1	33537687	JZANOVJSVZKBNZ-MLPAPPSSSA-N	452.223	3.410	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70692205	MAFPMZXFWPXWJT-LYKJMACASA-N	474.554	3.229	50	40	JGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(I)c2)cc1	408746136	REXUOTRMVYCCDM-JYRVWZFOSA-N	478.242	3.309	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408771524	ISJFJFCUIQNTQT-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OC(C)C	408992632	ULQZVOASZDWQGB-PXHAWYGPSA-N	479.537	3.193	50	40	JGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1)S(C)(=O)=O	409115557	SCDDDCNDGRAENY-WGOQTCKBSA-N	479.558	3.496	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)c1	409153885	IZZACNXSHGNFBG-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409227986	YSNJYVNGGJECQT-QRVIBDJDSA-N	464.390	3.495	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(C)cc1C	409268592	WHOFPZGUWHJEEG-WGFYCLKKSA-N	468.554	3.084	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(OC)cc1	639093	OKZFYVLCBGUZCO-VQTJNVASSA-N	485.949	3.458	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c2cc(Br)ccc21	2311162	KHGWRHWEBOAQDE-VUSLFOADSA-N	472.339	3.383	50	40	JGGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	3178509	KCJHGPNXOMWYAT-NTCAYCPXSA-N	471.445	3.424	50	40	JGGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)cc1	9094790	DPTZPAQANVNKCT-VYYCAZPPSA-N	453.458	3.044	50	40	JGGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl	12561833	MZSNCAIKJCDYPY-LPYMAVHISA-N	456.351	3.168	50	40	JGGB	
O=C(NNC(=O)c1ccc(F)cc1Br)c1ccc(CS(=O)(=O)c2ccccc2)o1	15131858	YIYVEPCWUNRMDK-UHFFFAOYSA-N	481.299	3.230	50	40	JGGB	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F	16782511	IBAKJTIGKFKAON-KRWDZBQOSA-N	498.671	3.114	50	40	JGGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1	17360184	WVIQFWXJFUVADR-UHFFFAOYSA-N	459.568	3.043	50	40	JGGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	26633349	KPLMFHRQOBBZAZ-CLCXKQKWSA-N	476.371	3.209	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	59427946	LOIXEXXYKVXISJ-KOEQRZSOSA-N	480.546	3.287	50	40	JGGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5cc(Br)ccc5O)[C@H]43)[C@H]12	245241399	CRVRIWAGIWPONO-ZQBHEHACSA-N	480.361	3.092	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F	408869323	QYVYCQZIJCOFFX-DHRITJCHSA-N	460.506	3.289	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1	988367	OBKQMYZOTJHQIJ-YSURURNPSA-N	453.911	3.455	50	40	JGGB	
COc1cccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)c1	1304765	RHENFLFMEGOMTK-SFQUDFHCSA-N	475.979	3.401	50	40	JGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c1	20208263	VPUARPWVCFPWIR-YDZHTSKRSA-N	470.507	3.388	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O	20212604	VQBVSPKEOLXBGW-UFFVCSGVSA-N	488.791	3.336	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C/C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	85886359	LOLLBPPCWUFRJZ-XAXGOLKGSA-N	451.486	3.210	50	40	JGGB	
COc1cc(NC(=O)C(=O)N/N=C(\C)CC(=O)NC2C3CC4CC(C3)CC2C4)c(OC)cc1Cl	100330850	ZTFZFGHBQYJPSQ-KVSWJAHQSA-N	490.988	3.119	50	40	JGGB	
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]5I)c([N+](=O)[O-])c1	102972752	ONQRMRLNRDSIAF-YGKUPLJPSA-N	466.235	3.462	50	40	JGGB	
O=C(CCCC(=O)NNC(=O)Nc1cccc(Cl)c1)NNC(=O)Nc1cccc(Cl)c1	104081943	LGRLEVQLAWTSCV-UHFFFAOYSA-N	467.313	3.169	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(C)cc1	408862385	HDOOVILUTDHESQ-AFUMVMLFSA-N	472.954	3.398	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1	409268925	ZSTXEYBFXKPYKL-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)ccc1OC	409323312	NLONJQSPAOXKDA-FBHDLOMBSA-N	451.273	3.084	50	40	JGGB	
O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NNC(=O)c1ccc(Br)cc1	2619728	STAOHERAGCOMHC-UHFFFAOYSA-N	472.368	3.461	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1	19926429	URAOZHXVDXZUHC-YZSQISJMSA-N	480.590	3.415	50	40	JGGB	
O=C(NNC(=O)[C@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccco1	102188572	MKWHZFPIZWRBDA-FCNWNZSISA-N	496.945	3.203	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408863268	QUYATNHRNCIYOZ-IERINAHZSA-N	477.970	3.217	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1	409024016	GZYUENKXJKODLQ-OVVQPSECSA-N	476.558	3.497	50	40	JGGB	
COc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1	3082176	IKWZQLTVFWOHLD-QADUPLGGSA-N	451.548	3.044	50	40	JGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)cc2)cc1	3145781	DOKQGXBVJVPVRU-CMNXJCJSSA-N	456.550	3.428	50	40	JGGB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccc(C)cc2)C1=O	8819338	XLAULFGEVPVYBE-AQTBWJFISA-N	455.561	3.056	50	40	JGGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1	8830184	DELJEAXSANCQRF-AOMKIAJQSA-N	492.532	3.146	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(Cl)c(Cl)c2)cc1	9319390	RFYCXFFFHHTSJO-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1I	13477473	YKDMCPZTEZBOFV-RGVLZGJSSA-N	466.235	3.334	50	40	JGGB	
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2	16682535	DOMMPLDAKPRZRY-FQEVSTJZSA-N	476.514	3.408	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O	20212372	KBGBDMFNFQCHLC-UFFVCSGVSA-N	488.791	3.336	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)c1	22870158	QNYNXROURCSJHF-UHFFFAOYSA-N	497.573	3.459	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c2ccccc21	409343487	HTYNLEPCMDZEQK-XTCLZLMSSA-N	496.976	3.417	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1CSc1ccccc1	2385986	ASDAUCXDIWROGM-KIBLKLHPSA-N	488.455	3.308	50	40	JGGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1	2631095	LXIQVYMSPKBXJE-UHFFFAOYSA-N	473.938	3.249	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)c3cc(C)oc3C)c2)cc1	9507629	TVEDNHCJOIHDLQ-UHFFFAOYSA-N	457.508	3.171	50	40	JGGB	
CN(CC(=O)N/N=C/c1cc(Br)ccc1O)S(=O)(=O)c1cc(Cl)ccc1Cl	16186793	JBVTXEWKMIMUMM-DNTJNYDQSA-N	495.182	3.232	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1	20060204	VPHDGBLVKVCXGB-UHFFFAOYSA-N	482.949	3.392	50	40	JGGB	
O=C(N/N=C/[C@@H]1CC=CCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	20478762	GOQQNWLNOGSFPA-HFITWMCCSA-N	454.390	3.308	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1	33293704	XYOYGDQFRQWDLG-OYKKKHCWSA-N	476.371	3.209	50	40	JGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)NC[C@@H]1CCCO1	58883027	DFGDPMHKKKFQSM-ZQTIHHSBSA-N	450.322	3.431	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccccc1	409259370	YSQBMCURAFUHHH-SQAVSUBZSA-N	474.945	3.121	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cccc(C)c2C)cc1	409350086	XBPXHYXPRWNPQZ-AZPGRJICSA-N	490.585	3.304	50	40	JGGB	
Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc2c1C	9381852	KOGKGNMJMNFMAC-GJZGRUSLSA-N	474.608	3.468	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	12414011	UZDSVEKCFDUFLR-FUMWUCPYSA-N	470.529	3.460	50	40	JGGB	
O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNC(=O)CNc1nc2ccccc2s1	14800186	QLYIBLGWSVRMCC-UHFFFAOYSA-N	457.462	3.422	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1	19926374	OUBITJHQRNDYMN-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	19953079	ZBHPZPDDTNNKGC-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1	39976071	POGMWCBCQHOXMW-DEOSSOPVSA-N	484.512	3.208	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	58881379	DPHJGZDELPVFKS-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1C#N	59427749	GWEHDNFSXCBNMF-RPPGKUMJSA-N	476.493	3.253	50	40	JGGB	
CC(C)C[C@H](C(=O)OC(C)C)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	101904465	AUHOSLFGHNGOHL-SQGICHGQSA-N	479.209	3.131	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409154586	KKSJQRMSNKELIO-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	409273008	USVRDEDUOCNGPX-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(OC)cc3)=C2C#N)cc1	409309741	LXAFPXGPHGMEES-GOSISDBHSA-N	451.504	3.192	50	40	JGGB	
N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	12276789	NOBBTUAIDUUHMP-CQSZACIVSA-N	453.436	3.214	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)c3cccs3)nc3ccccc3c2=O)cc1	13145406	UEHDRRCNVFJKPJ-UHFFFAOYSA-N	466.544	3.009	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c1	20211193	SCBFJXJXUJPJTH-JJIBRWJFSA-N	461.584	3.330	50	40	JGGB	
COc1ccc(CCNC(=S)NNC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)cc1OC	20312146	XMYXDRCBCJXOGC-CYBMUJFWSA-N	471.501	3.228	50	40	JGGB	
CC(C)(C)c1ccc(OCC(=O)NN[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1	35682782	JJYGFUNOVWTOSL-FQEVSTJZSA-N	454.571	3.026	50	40	JGGB	
COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21	40137548	LVPBNJFMIOKZOJ-FVDSYPCUSA-N	459.502	3.329	50	40	JGGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)NNC(=O)c1ccc(COc2ccccc2)o1	98050250	WMUMREKEMJUGAW-UHFFFAOYSA-N	490.472	3.320	50	40	JGGB	
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]4I)c([N+](=O)[O-])c1	102946455	ONQRMRLNRDSIAF-KYHWGEFMSA-N	466.235	3.462	50	40	JGGB	
O=C(COC(=O)c1ccccc1OC(=O)CCCCCBr)OCCCCO[N+](=O)[O-]	114081082	UDZPHMAFXWSKPV-UHFFFAOYSA-N	490.303	3.236	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1cc(C(F)(F)F)ccc1Cl	408680807	GWMOGGDXFPFNLR-BANCJSOYSA-N	496.663	3.412	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)cc1	408823679	OJYTXUQYCGWZOB-PPDIBHTLSA-N	492.923	3.216	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409169010	OTAIBCAXIWRUQT-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(F)ccc2F)c1CSc1ccc(Cl)cc1	9308368	VTIXEYZGODIEEB-KTZMUZOWSA-N	490.883	3.220	50	40	JGGB	
CN1CCN(C(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1	9970602	APKXOIJHXILMNP-YWDBVWQESA-N	450.539	3.026	50	40	JGGB	
CC(C)CNC(=O)COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	101858466	SSERTLFTCXVDKF-CCVNUDIWSA-N	458.518	3.101	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(Cl)cc1Cl	408679284	DRCFURIIHJBWGK-XOKVJCJLSA-N	463.111	3.046	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1O	408783332	NLRJLUHRHBWWDT-FOKLQQMPSA-N	463.865	3.371	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(F)cccc2Cl)c1CSc1ccccc1	2396369	SLXVDHWPTYNGSA-NUGSKGIGSA-N	472.893	3.081	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(C)cc1	9307641	CIWZMQPLMWTYAJ-BUVRLJJBSA-N	462.539	3.296	50	40	JGGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1Cl	12599001	PJHPOZGIRFGCLW-NRFANRHFSA-N	466.925	3.333	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)c1	23054908	VEXVSVFHZSAQLL-UHFFFAOYSA-N	491.928	3.292	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OCc1ccc(Br)cc1	408608667	ICKVZHKMXSMPQC-BRJLIKDPSA-N	486.322	3.396	50	40	JGGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	408681704	IGWRRSLECILBFI-VGODUVCRSA-N	459.695	3.120	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	408771112	FLAYXHZKGVRYEO-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	408788804	HNQLQXVAAJEYPM-WGOQTCKBSA-N	495.557	3.139	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)O	408808638	MTHWCCSHALXKKE-WUXMJOGZSA-N	496.232	3.448	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408906017	CCEWHYXJXZYDRY-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408923679	ZVLITVDPWDBMEQ-YZSQISJMSA-N	480.590	3.415	50	40	JGGB	
COc1cccc(OC)c1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	408970779	KBLLQMXCSYHGIC-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCOCC2)o1	409014458	PJLORARNWQTGHP-JMIUGGIZSA-N	487.148	3.170	50	40	JGGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)c1	409152279	JOIBGFPJAPSTMX-CCVNUDIWSA-N	477.517	3.466	50	40	JGGB	
COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC	409205084	LCXDKDIAMZUUOO-IAERKFLBSA-N	452.507	3.364	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409258567	URBVICNDRGCFNE-RPPGKUMJSA-N	486.956	3.102	50	40	JGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)c1	2255055	JBRRRADAZNOWJA-QHCPKHFHSA-N	473.485	3.169	50	40	JGGB	
CCCc1c(C(=O)N/N=C/c2ccccc2OCc2c(F)cccc2Cl)nnn1-c1nonc1N	9307947	HPGFFPJMWBGSLE-KBKYJPHKSA-N	498.906	3.320	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)cc3)nnn2-c2nonc2N)c1	13811060	PORYKEMYTPPENW-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1cc(Cl)ccc1Cl	18097287	QQMVJCVSFQBVQD-UHFFFAOYSA-N	459.127	3.337	50	40	JGGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1	35105446	ZKQGNNDLGIWPRG-HUMORHPISA-N	486.528	3.137	50	40	JGGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(Br)cc1	408859420	UEMWMLOKFWXGLR-ZMOGYAJESA-N	484.354	3.418	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2ccccc2Cl)cc1	409075224	XQKKSPRSHHBVCG-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)Cc3ccccc3)nnc2-c2ccncc2)cc1	651133	KACWHRGNCOZWSB-UHFFFAOYSA-N	458.547	3.120	50	40	JGGB	
CCCCCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(CC)cc3c2=O)c2ccccc21	1784478	BARVRBOIOIGJLK-MEFGMAGPSA-N	465.579	3.468	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2C)c1	1960415	PCGXBTWUTKONKM-CIAFOILYSA-N	465.291	3.477	50	40	JGGB	
N#CC(C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)=C1Nc2ccccc2N1	6017345	BXZLKIJXMCPIGE-UHFFFAOYSA-N	485.477	3.062	50	40	JGGB	
COC(=O)N/N=C/c1cc(I)c(OCc2ccccc2C#N)c(OC)c1	8722189	RRICXMWWUDVWAU-UFFVCSGVSA-N	465.247	3.440	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)c1	9933813	CGXXUPJJPDRQOQ-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C[C@@H](C)O1	17247130	GZLDDTXGSKKFPL-TXEJJXNPSA-N	482.534	3.129	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	19950011	JNYLVXZEQQMKID-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
COc1ccccc1NCC(=O)N/N=C\c1cc(Br)c(O)c(Br)c1	30802616	QOZJGZWVYKNCNL-ZBKNUEDVSA-N	457.122	3.488	50	40	JGGB	
O=C(NCc1ccccc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1	408683342	LDUBGCUEOSPEQE-YRYYUTHUSA-N	469.335	3.126	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408721786	YLRNZDSTVLULGS-SSDVNMTOSA-N	451.830	3.312	50	40	JGGB	
CCOC(=O)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408970340	GJXSHJWJFROSHW-YYHBXHNPSA-N	453.539	3.232	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1	409011370	GHWAYTGBOXWSJN-QRQIAZFYSA-N	491.544	3.005	50	40	JGGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1	409318508	YLPIXGYKZTYNKR-JKSUJKDBSA-N	487.361	3.426	50	40	JGGB	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nc2ccccc2c1=O	799253	VOWBKUIXKJMMNN-WYMPLXKRSA-N	452.536	3.232	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	1084982	FOYYLHCQSWBSOA-LGJNPRDNSA-N	462.458	3.481	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2cc(Br)ccc21	2360565	PPVIBYPJLSEEIW-ZHZULCJRSA-N	452.106	3.107	50	40	JGGB	
C/C(CC(=O)NC(C)C)=N\NC(=O)COc1cc(C)c(Br)cc1Br	8663682	QKHLRZMPFNRHRU-RGVLZGJSSA-N	463.170	3.306	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)cc1	12868902	BBNWCFYWRKDCJI-INIZCTEOSA-N	475.636	3.043	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	19953676	JMSYOGDCORRKOQ-WNIQNGNASA-N	495.557	3.219	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	408639513	YCISGDYAOJYLSW-UHFFFAOYSA-N	453.307	3.362	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408777009	TWGBRVNLTXYAPF-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408782172	IFWBITFARSSKJR-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc1OC	987609	FEUYVYFJTVDZHK-INIZCTEOSA-N	454.284	3.470	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1Br	8721628	APDPDFMQLRKQHZ-SRZZPIQSSA-N	464.341	3.420	50	40	JGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)c(O)cc1O	59427790	GOJZZDLAGVRMLP-BHGWPJFGSA-N	466.291	3.479	50	40	JGGB	
COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408638300	QXWWLKHNFBECNJ-QFBILLFUSA-N	461.873	3.389	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccccc2)cc1OC	409115875	LHPVAMPNSAQLPU-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1	1786178	GSQRNWCTIGXRRQ-JVCXMKTPSA-N	490.947	3.211	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc2cccnc12	8825092	AKSRWCZSQWXGCO-BHGWPJFGSA-N	472.295	3.078	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)c1C#N	9234473	ASVCXFMNKZXXSM-OPEKNORGSA-N	483.322	3.348	50	40	JGGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)NNC(=O)c1ccc(F)cc1	9662254	ZIZDARCKTZTARH-GOSISDBHSA-N	489.960	3.470	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1	14165639	AFULBPKXMVLBLS-CVKSISIWSA-N	495.557	3.468	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1	19956291	TYPVAKHLZCXWNY-AFUMVMLFSA-N	469.494	3.178	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	20059278	KUIFIIOEIHGXBP-HZHRSRAPSA-N	452.492	3.325	50	40	JGGB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	102519332	ZMCAMQAZBWWFOZ-LVEBTZEWSA-N	459.134	3.290	50	40	JGGB	
O=c1c(O)c(-c2ccc(N3CCN(CCO)CC3)cc2)oc2ccc(CBr)cc12	103783648	QEZHRGMLBQLFOG-UHFFFAOYSA-N	459.340	3.175	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(Br)cc1	408648482	YJCHGBRKOZUGHL-MRXNPFEDSA-N	452.308	3.416	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O	408760462	YYZRWPAZVFEEOW-KEBDBYFISA-N	450.245	3.445	50	40	JGGB	
CCCOc1ccc([C@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1737927	XBTMHDZBIOQLFU-KNQAVFIVSA-N	461.522	3.366	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1	2341579	APDZIVXRJBLOFM-VHXPQNKSSA-N	495.495	3.387	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)cc2O)nc2ccccc21	9584328	DJAPBXVHLYESBM-UHFFFAOYSA-N	470.942	3.154	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	13785953	SWESAFUYNPBKAW-WJDWOHSUSA-N	490.950	3.301	50	40	JGGB	
COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc(OC)c1OC	409004160	AVMPOYVNWICYGC-AFUMVMLFSA-N	459.930	3.368	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1	409271019	JJDQTTBDGSRBBC-LGJNPRDNSA-N	452.417	3.071	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1O	19926411	MVVNQRHYVGBAJV-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	19950750	GRAVKAFRFFZBFB-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccccc1	27062508	UXDRUSOPSGQKSM-CAOOACKPSA-N	492.054	3.365	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccccc1	58881125	UUIMIHABPCZKAT-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)N1CCN(c2ccccc2)CC1	59333387	NOOHMSWWTAPXCU-ATVHPVEESA-N	470.323	3.168	50	40	JGGB	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)o1	62563938	ASRPSANYBKOERO-UHFFFAOYSA-N	484.578	3.021	50	40	JGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OC)c(OC)c2)N2C(=N1)SC(C#N)=C2N	408602113	ALPAXGDUBGXWCC-GOSISDBHSA-N	458.540	3.441	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1	409176225	YZKHYNKJZODUKA-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1	2694753	GVGWGTJKYIRAGN-HNNXBMFYSA-N	453.520	3.423	50	40	JGGB	
Cc1cc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)ccc1[N+](=O)[O-]	12445988	VZDSGPRRWGGPQW-OPEKNORGSA-N	486.448	3.295	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)nc1	13134350	KHQHMBYHYIXEOR-UHFFFAOYSA-N	493.372	3.041	50	40	JGGB	
C=CCn1c(COc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	15930443	USQNNEIHBWGUEH-AFUMVMLFSA-N	497.577	3.311	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1	20461335	LURZOKXJTRQNAR-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)cc(I)c2O)cc1	38185343	ZEEDXGSPSNOFIS-UFWORHAWSA-N	457.655	3.373	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)O	408962948	WEQANFPZYYJPNZ-ODCIPOBUSA-N	492.238	3.339	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cccc(Cl)c2)cc1	3350237	NEIWNZOVWZKKKJ-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	19951053	ONOJVGQAGZLRKF-LFVJCYFKSA-N	481.534	3.006	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cn(CC(N)=O)nc1-c1ccccc1	22707857	LQERKULAXSRFFL-IBGZPJMESA-N	471.908	3.297	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2F)Cc2ccccc2)cc1C	108080629	PMFRILSBERPYHQ-YSMPRRRNSA-N	469.538	3.484	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)N1CCOCC1	409009940	IUTYZHWUWKRPJN-STZFKDTASA-N	463.534	3.485	50	40	JGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1O[C@H](C)C(=O)O	409241108	ISVAEMXXFNHHMT-OHBSIKEHSA-N	451.273	3.082	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(C)c1C	409261076	AXPCGFLMNXHTDM-CCVNUDIWSA-N	492.532	3.079	50	40	JGGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2OC)c1	409337807	WLVGZTIULHSUPO-DGKKPVBHSA-N	452.507	3.494	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@H]1c1ccc(C)cc1	12250322	OFQXNFSNMCGKOU-NHCUHLMSSA-N	494.529	3.321	50	40	JGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1	19948352	TWBJBBOHMTYHFS-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
O=C(O)[C@@H](CSSC[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)O)Nc1ccccc1[N+](=O)[O-]	25692934	QDIRHXMEFOIWRM-OKILXGFUSA-N	482.496	3.315	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21	101088212	MKSRQMJUQZJSQV-MEFGMAGPSA-N	457.515	3.012	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC	409018537	VDLYJJLOHACLGY-JMJNUIHMSA-N	491.972	3.426	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OCC)c1	409152809	KBVQHOXXYOEQFO-VULFUBBASA-N	474.945	3.123	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409172580	DDGOCNAMKHUFAO-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc2Cl)cc1	409247968	FIDVKUXHCBSFOA-SQAVSUBZSA-N	458.946	3.285	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1	409268380	SPVWJCVGBFUGPG-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)COc1ccc(Br)cc1	13562681	MZGSTFUPVYLIOO-YDZHTSKRSA-N	462.300	3.120	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1	20060567	KMYFKBNLIHRLQJ-PCLIKHOPSA-N	465.531	3.127	50	40	JGGB	
O=C(NNC(=O)c1ccc(F)c(F)c1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	22594059	NJMYCGBBZMLIIK-UHFFFAOYSA-N	465.865	3.494	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccc(Br)cc1	138651309	QOGSFNNXTLVPOH-UHFFFAOYSA-N	498.333	3.325	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2)cc1	408771806	KHOIPSJLZFMAPG-CVKSISIWSA-N	463.490	3.250	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2cccc(Cl)c2)cc1	409137863	ZEPOBDFLAOVKQH-UHFFFAOYSA-N	498.948	3.017	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	409159042	MJLRSOGGNNHEGW-UVHMKAGCSA-N	464.444	3.089	50	40	JGGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1	8798581	WOSQZBJMDKVWMZ-BAACNHRGSA-N	473.308	3.269	50	40	JGGB	
O=C(NNC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	12520146	ZNEUSAKGLJBLIV-IBGZPJMESA-N	487.589	3.323	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1	12868894	BBNWCFYWRKDCJI-MRXNPFEDSA-N	475.636	3.043	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C	16267306	KNZGNHRNTFYZCU-SSDVNMTOSA-N	482.400	3.154	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	16692779	XXSAYJIUKDTVDO-SSDVNMTOSA-N	474.366	3.172	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OCC(=O)Nc1ccccc1C	408608541	HOSKERLVRUPMQW-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409271518	LXTTYGKXZCBEQO-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770071	GNCKPTOKIWISKW-QUCCMNQESA-N	492.532	3.283	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	9319432	HLRAKYLCSYIWJP-VQTJNVASSA-N	453.495	3.244	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20214117	UOQHVFNWJPGCJN-CJLVFECKSA-N	498.399	3.163	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(I)c1O)c1ccc(N2CCCC2)cc1	408676986	OGBXMXVJRFQLRU-RGVLZGJSSA-N	480.262	3.269	50	40	JGGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	409016644	QZXFFXFRUZIFLW-LSCMLXDISA-N	483.481	3.363	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2)cc1OC	409126600	CYOGINNSXVWLDS-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(CC(=O)NCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	409165996	BXEOEDUIFOUACS-ZRGSRPPYSA-N	469.881	3.116	50	40	JGGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O	1922146	QTEYINHAWIVRQA-QPSGOUHRSA-N	489.551	3.451	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)o1	2659924	IHQVBDZQAMRXNW-UHFFFAOYSA-N	467.425	3.482	50	40	JGGB	
O=C(NN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@@H]1COc2ccccc2O1	8692202	OMSUOGHKOWWGHU-GBKYUFMXSA-N	475.888	3.329	50	40	JGGB	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	9715925	BMIVSBVOROWEET-HNNXBMFYSA-N	453.495	3.040	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2)cc1OC	9847164	KMPSPNMLKHDUFV-HYARGMPZSA-N	459.549	3.111	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1	9884961	SPIKMWGEBLZIPX-UHFFFAOYSA-N	479.986	3.168	50	40	JGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1C	13007359	HXVKUACYMJSCNY-XQNSMLJCSA-N	470.614	3.116	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	19947670	GMFWKUPPRKZOJU-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2ccc(Cl)cc2)cc1	23410669	CQUREORPGOGWBX-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	101873252	KIYFNBKONQMDDJ-ZHHHAOKNSA-N	484.188	3.100	50	40	JGGB	
O=C(CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1	408672943	PMFPCBPIIARKCI-RNJOBUHISA-N	478.568	3.201	50	40	JGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1)c1ccccc1	408978785	KCPYHCUCMHOUSX-LTNVFZTJSA-N	464.316	3.491	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)c1	409173488	ITLJQGMQBPHPSM-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C)cc2)cc1	13136671	FTCFQCSYYKRNOM-UHFFFAOYSA-N	460.625	3.110	50	40	JGGB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OCCBr	15945516	JUAAPZQGTLGPAA-LFIBNONCSA-N	459.296	3.131	50	40	JGGB	
CN1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1	17527525	GRVPVNGAKKAGRU-NZVBXONLSA-N	487.074	3.446	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c(Cl)nc2c1	20208161	GQPCRIAAWZTEHZ-WYMPLXKRSA-N	474.970	3.430	50	40	JGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	59960326	QOVCRKNPBIRQOR-UPHQNKNSSA-N	488.544	3.349	50	40	JGGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccccc4)CC3=O)cc2)cc1	408652356	CIZRBKVNGBRPHH-HXUWFJFHSA-N	487.512	3.145	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1	408664014	IPRMTIZTPUEPHF-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(OC)c1	408771784	IZFRGYZLACCGEM-LFVJCYFKSA-N	461.584	3.308	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409118911	OZHWWICYNPAZKN-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1OC	2176283	ZBTAHTNNIUAJCX-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
O=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1	3384606	JVTRAFTVYRLPOE-UHFFFAOYSA-N	453.495	3.042	50	40	JGGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	12735240	UQLLJEGZMFYTBM-KRWDZBQOSA-N	485.949	3.153	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c(C)c1	19948537	IFFGAURLWXKKQE-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	20214229	MJXZEAKCZYDFKR-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2F)cc1	20499723	CJGDMTSJFHMJAV-DHRITJCHSA-N	469.494	3.208	50	40	JGGB	
CC[C@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O	36622891	IHQZJXJEGVAXKB-VYXQJKENSA-N	498.277	3.254	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C)cc2)cc1OC	59516152	PTHMPGDWBSYXNG-OVVQPSECSA-N	495.601	3.396	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccncc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70692089	IQAVHFGHPQBDFZ-LYKJMACASA-N	474.554	3.229	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccccc1I	408589541	LSZMAVDSVPRLCO-CIAFOILYSA-N	467.307	3.302	50	40	JGGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)Nc1ccccc1	408655056	COBKUWGETWLHCX-YBZCJVABSA-N	487.339	3.452	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	409157011	VDEROZZUMBLGGD-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc(I)o1)CO2	8721731	VNGDKUDULYLGRP-WJHPISCYSA-N	454.264	3.472	50	40	JGGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1OC	9980254	MHBBKYYPBBRVQM-YADHBBJMSA-N	495.557	3.204	50	40	JGGB	
COc1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1NC(C)=O	12753207	LUDNDCCSHGNCMR-UHFFFAOYSA-N	459.549	3.314	50	40	JGGB	
CN(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(Br)cc1	16187130	QCBUSIDUCZLIRC-LPYMAVHISA-N	460.353	3.373	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20209756	SIGSRDKGDIFKKJ-OQKWZONESA-N	498.399	3.163	50	40	JGGB	
CC(C)Oc1ccc(-c2n[nH]c3c2[C@@H](c2cn(CC(N)=O)nc2-c2ccccc2)C(C#N)=C(N)O3)cc1	22754905	JIVXPSDLXDKQQF-JOCHJYFZSA-N	495.543	3.431	50	40	JGGB	
O=C1CCC/C(=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1	101764325	AFNUIAWIKQJFOX-PGMHBOJBSA-N	464.341	3.479	50	40	JGGB	
COc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(C)c(C)c4)c(=O)c(C#N)c3C)cc2c1	409072863	SUGAYFVWBSZQHT-QDTIIGTASA-N	482.500	3.056	50	40	JGGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1)S(C)(=O)=O	409116357	UXGYWJXKSVIVSH-LFVJCYFKSA-N	451.504	3.066	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1	409271718	WENXHGUCVKSHBJ-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccccc1	2077398	BDPPMYZEYLKWLL-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	4015941	QUXJVDNTSOQQFK-JLZCTACVSA-N	471.145	3.146	50	40	JGGB	
O=C(Cc1csc(-c2ccc(F)cc2)n1)NNS(=O)(=O)c1ccc(Br)cc1	12937599	XMGXFOOUIKIYJE-UHFFFAOYSA-N	470.345	3.264	50	40	JGGB	
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)C(C#N)=C3Nc4ccccc4N3)CC2)cc1	13038824	JRFQIKODDRYOPT-UHFFFAOYSA-N	479.606	3.132	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1	102247649	ZJUBNZNGQXDERH-BQFCYCMXSA-N	457.552	3.083	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1O	409259566	ATOMWMPVBRGRJW-UFFVCSGVSA-N	481.290	3.101	50	40	JGGB	
COc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC	16136588	UKWNEWPACPFNOR-ITYLOYPMSA-N	497.573	3.448	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1	59959781	ACDQHACHRDBKKR-DSWROXKMSA-N	492.963	3.363	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccc2ccccc12	408537564	WHLWNKXSSYFXJL-APYSBUGJSA-N	468.391	3.473	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1	408610531	NSUHFKIHOVMGAK-OGLMXYFKSA-N	461.518	3.439	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c(OC)c1	408826662	IOFCEDGVUHDMKR-MFKUBSTISA-N	484.578	3.028	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	408858858	QKKIQDQMMLKJCU-PCLIKHOPSA-N	468.579	3.409	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)c(=O)c1C#N	409065416	SAYZKKALBJLGEK-NVJOKUIPSA-N	495.967	3.395	50	40	JGGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	9220395	RUPSBPUPZMNEDD-OAQYLSRUSA-N	487.541	3.014	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)ccc1OCc1ccccc1	20207671	DHOSVTVGXIAYSJ-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1Br	20212939	DCEZDHLJYHQMKX-UFWORHAWSA-N	462.753	3.229	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)ccc1Cl	226382226	AIFPQPZOOAEVOZ-SUONKVAMSA-N	477.536	3.321	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1	408636553	AERAOFQSMMCKRS-UHFFFAOYSA-N	483.333	3.274	50	40	JGGB	
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408687243	TYQBCRLANQLJJV-ORIIPUBOSA-N	464.297	3.228	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1OC	408832863	QTAWHEPBYWKHCO-CYVLTUHYSA-N	495.557	3.041	50	40	JGGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	409041033	IZSFIYKKEZLNCP-NTEUORMPSA-N	476.401	3.197	50	40	JGGB	
O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNC(=O)c1ccccc1	9124786	DVALYVMVIWAXHL-UHFFFAOYSA-N	458.449	3.296	50	40	JGGB	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)CNc3nc4ccccc4s3)cc2)cc1	9203866	HYYQDJGCUWODGX-UHFFFAOYSA-N	495.586	3.279	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(Br)o2)c(I)c1	9948545	RKLLZWHRCZHKRZ-IDUWFGFVSA-N	479.068	3.184	50	40	JGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2C)c1	408857462	GVLBADGHYOQXJF-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1	409318988	ZJJAXNFGOCTBHO-GOSISDBHSA-N	451.504	3.192	50	40	JGGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2)CC1	4064050	NFXUERLMNODYQI-UHFFFAOYSA-N	469.545	3.104	50	40	JGGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O	19950214	YGNXBXZAOBGNFT-ZVHZXABRSA-N	471.922	3.384	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(Br)c1O	20086267	BCJQCDHBBFTYKG-INIZCTEOSA-N	454.280	3.233	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OCC	20208087	CGIFIHLBJLWPKX-BUVRLJJBSA-N	459.568	3.183	50	40	JGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CCn2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1	26987941	LNWUTPKGENBHBX-UHFFFAOYSA-N	468.583	3.314	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O	58853524	OSVOVHDLVDOOGO-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	408895638	UURRJTPKEUBRTH-ZVHZXABRSA-N	489.985	3.149	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409008721	BTWQEPBGINNKQS-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)c1	409157697	RNXFTZOZOJTPGO-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
C[C@@H](NC(=O)COc1ccccc1Cl)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409163790	XVVTYTILRHCUDS-KWRYHKOTSA-N	469.881	3.332	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1	409167159	HKMXPHBCYYBUAX-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)N/N=C/c1ccc2c(c1)OCO2	667737	DWVCFBPDJJSLDJ-NUGSKGIGSA-N	458.931	3.052	50	40	JGGB	
O=C(NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccc(Cl)cc1	9591387	FTUGJJGBBAKYTD-QAPCUYQASA-N	481.307	3.396	50	40	JGGB	
CC(C)(C)NC(=O)CCN(NC(=O)c1cccc2ccccc12)C1=NS(=O)(=O)c2ccccc21	9850382	JTUJLBBUNNHXBZ-UHFFFAOYSA-N	478.574	3.241	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	20233460	XSRGCYVZNQEMHQ-MFKUBSTISA-N	472.954	3.479	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	20368031	DZTHPTUFFICUON-MFKUBSTISA-N	467.547	3.050	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC	59515464	ABGIQXVFNJPZSC-OGLMXYFKSA-N	461.518	3.092	50	40	JGGB	
Cc1cccc[n+]1[C@H]1[C@H](c2ccc(Br)cc2)C(C#N)=C([C-](C#N)C#N)N[C@]1(O)C1CC1	100023480	BUIVVPFEMFIUSN-NHTMILBNSA-N	474.362	3.471	50	40	JGGB	
C#CCOC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1	200502726	AEFRDVDAQLIGSO-NZQKXSOJSA-N	464.905	3.212	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Cl)cc1	408662873	NZFWEZGCWMRWFK-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2)cc1OC	408776739	QWTGNJIXYYBEQB-KOEQRZSOSA-N	483.546	3.145	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(Br)c1	1434996	UMGZIQIBMDBTSN-UFWORHAWSA-N	458.106	3.455	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c(C)n1CC(C)C	12822778	PCWNPVLONBSXIQ-BUVRLJJBSA-N	484.641	3.362	50	40	JGGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	13401079	YDIATXZXCIROLY-DTQAZKPQSA-N	492.469	3.007	50	40	JGGB	
COc1cc(CC(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc(OC)c1OC	15993958	PEUJTEQKUVBERX-UHFFFAOYSA-N	496.589	3.415	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OCC	20209459	YCZKJRXJRJVEOH-OEAKJJBVSA-N	465.959	3.220	50	40	JGGB	
COc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1	108992617	ZYAXHHJRHQOZLV-WGARJPEWSA-N	480.452	3.453	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OC	408727277	QYTKDJACFHMHSU-RGVLZGJSSA-N	454.264	3.471	50	40	JGGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	408865848	GARDMCKHQXLBCA-WSDLNYQXSA-N	482.400	3.400	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-]	409015911	PJQKJLBYHIFQQO-SZMVHAFZSA-N	476.917	3.317	50	40	JGGB	
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccc(C(F)(F)F)c1	1406884	VFWVXNLCQUIGQM-UHFFFAOYSA-N	489.903	3.221	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc(OC)c1OC	2396260	ZAURBOABEWHEQR-FOKLQQMPSA-N	475.958	3.404	50	40	JGGB	
CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1	8763920	OHEIKFKWSKKHTJ-STZFKDTASA-N	466.519	3.021	50	40	JGGB	
N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	9353118	ZJTGAWMXWZCBPC-XRXFAXGQSA-N	474.860	3.267	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1	32109276	YYSSGOBFMISHNK-BUVRLJJBSA-N	466.519	3.244	50	40	JGGB	
CCOC(=O)C1=C(Nc2ccc(Br)cc2)OC/C1=N/NC(=O)c1ccccc1O	103833844	WRDNFPGMZVYNOO-HAHDFKILSA-N	460.284	3.158	50	40	JGGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Br)cc2)c(C)c(C#N)c1=O	409060098	SQOXXFVXSRNNIK-MSXFZWOLSA-N	450.296	3.247	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc21	958356	YZQUULXHDUAMJN-SLMZUGIISA-N	471.542	3.402	50	40	JGGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	2325083	LCXKAXQNJMLRAJ-QHCPKHFHSA-N	459.502	3.449	50	40	JGGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)c1	2451555	PQDVERYJYKDVNB-JFLMPSFJSA-N	480.488	3.339	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OC)c3)[C@H]2C1	8411428	LJNLRQSBOGBDMY-SIKLNZKXSA-N	461.522	3.364	50	40	JGGB	
Cc1csc(CC(=O)NNC(=O)[C@@H](C)SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1	12599354	PWIRSONSIGRMOJ-CYBMUJFWSA-N	499.643	3.428	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1	13511536	HKQNCFSQMUJJRM-PGGKNCGUSA-N	475.271	3.499	50	40	JGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	16136859	XCHLXJBHFUFQQH-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1	58872875	MGFAPYVIRLIEMJ-AUEPDCJTSA-N	472.343	3.073	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)ccc1O	106520266	HLRZXNDVBPVDPY-YSMPRRRNSA-N	497.573	3.059	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	409168114	KFZLOCCQSZIYSM-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1OC	409311657	GXHHLRMUEIUUBW-KSEXSDGBSA-N	450.875	3.373	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	8722036	AVPPZEMPTAOEIA-XTFCHBONSA-N	488.544	3.430	50	40	JGGB	
C=CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1ccoc1C	9964008	HQLUBEHYQYDQNJ-UHFFFAOYSA-N	476.356	3.348	50	40	JGGB	
CCn1c(NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)nc2ccccc2c1=O	10323643	JYCXEAGZDZXZBT-UHFFFAOYSA-N	450.499	3.318	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	13068718	UYTMCABUHJNFQT-SZVPOVDMSA-N	496.516	3.142	50	40	JGGB	
O=C(O)c1cc(S(=O)(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1Cl	13345978	AOEYVZKTBACULS-UHFFFAOYSA-N	482.905	3.272	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1O	408787237	VNRGWRNETIWCGI-MFKUBSTISA-N	471.510	3.276	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1	409164388	HVWXNMKIQSTMIN-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(N)=O)=C(C)N1	4019874	LHSMRFIKDPTZGK-LJQANCHMSA-N	458.927	3.495	50	40	JGGB	
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1	9216044	UKHCRLSLDQBKGR-HKWRFOASSA-N	475.574	3.367	50	40	JGGB	
Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)COc4ccc(Cl)cc4)CC3)c2c1C	10371241	MDMMKSDRBRAHSI-UHFFFAOYSA-N	473.986	3.404	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)c1	20210081	RQLYSRUDJNJYFY-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
Cc1c(C(=O)NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)oc2ccccc12	48345961	NJTWITVQLQDUSF-XMMPIXPASA-N	496.523	3.016	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	408762145	CYMVEZATIVTDSP-VXLYETTFSA-N	469.235	3.371	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c(OC)c1OC	1471740	CWFIZSMKWRMUFI-OAQYLSRUSA-N	459.502	3.449	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)cc1OC	9634249	PFYVXNRLZVTFSO-QGZVFWFLSA-N	479.986	3.060	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C(=O)O)o1	30809113	DVKIXBFIAOEKCV-KSEXSDGBSA-N	469.406	3.003	50	40	JGGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)Nc1ccccc1	408657156	GKGDXVRFDYUWDH-JXYJOFSCSA-N	487.339	3.452	50	40	JGGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	409016646	QZXFFXFRUZIFLW-PGLVWIQMSA-N	483.481	3.363	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c(OC)c1	409017469	RQPXMWUQRUJZEW-HMHIXTCJSA-N	461.946	3.417	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409156010	JWYGSUOQDIVMKZ-OPEKNORGSA-N	495.363	3.384	50	40	JGGB	
O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1cccc(Cl)c1Cl	409252331	RWGWHESMSQONFH-WYMPLXKRSA-N	463.321	3.083	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21	958396	ISVFKQTZPUBLBI-SLMZUGIISA-N	471.542	3.402	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1I	2132112	OFYBNUWCKHMXBI-UHFFFAOYSA-N	485.709	3.433	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCC(=O)OC	9202385	BANNRUGPQARMGK-SSDVNMTOSA-N	496.301	3.314	50	40	JGGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c3cccs3)c3ccccc3n2)cc1	21896637	JZRHREIWEBJPOO-UHFFFAOYSA-N	494.598	3.353	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)ccc1O	59382994	JHBPYJHNUBFJSH-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
N#CC1=C(N)n2c(sc(=O)/c2=C/c2c(F)cccc2Cl)=C(C#N)[C@H]1c1c(F)cccc1Cl	103767989	ALWQTEHJHQIFQQ-PNWYBZRESA-N	487.318	3.446	50	40	JGGB	
COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408601399	ASXICDXUNWDPSC-YSURURNPSA-N	458.729	3.439	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(Br)ccc2O)cc1	408760057	QSWYMEHOINLIHD-YPKZHZFPSA-N	482.400	3.306	50	40	JGGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)c2)cc1	409150411	BTUUSJSORJTILV-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1	409153896	IXNCMORNPMBLRR-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OC	409380667	PGANBWLGMORWGW-SRZZPIQSSA-N	453.280	3.261	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	9056947	FTOTYTFCJUCMTQ-KOEQRZSOSA-N	480.546	3.287	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1	9846983	YCHSZVDQQMWBEN-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1cccnc1	13425331	BUOPSEHHXSSBES-YBEGLDIGSA-N	456.911	3.030	50	40	JGGB	
Cc1cccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1	14066733	SCSCQLWCZDCTGG-UHFFFAOYSA-N	488.393	3.076	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC	19950267	ORRSPOOZNATUPP-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	100591085	UNCGHKOJAIRPRK-ZHHHAOKNSA-N	484.188	3.100	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)c1	408856333	FSXDHNKKTJFBGJ-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2cccc(Cl)c2)n1	1637777	VODJAOJWUCUKJP-UHFFFAOYSA-N	489.927	3.106	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3c(F)cccc3Cl)nnn2-c2nonc2N)cc1	2446389	GYCKTDKFGDRMCK-PGGKNCGUSA-N	486.920	3.390	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	8812884	ZNDXMPROIVSEPT-SSDVNMTOSA-N	465.300	3.172	50	40	JGGB	
COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)c1	12276027	LLIATVXWSXRXTK-GYCJOSAFSA-N	468.531	3.364	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2)c(OC)c1	19950606	UQRBSQJNPCOOSY-KOEQRZSOSA-N	483.546	3.145	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	20059282	QVGSGFOOCVXGIV-PCLIKHOPSA-N	465.531	3.342	50	40	JGGB	
O=C(/C=C/c1ccco1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	22938756	QVJZDOFJYALNFP-BUHFOSPRSA-N	458.562	3.238	50	40	JGGB	
COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1	30734366	PVDHYXFUEBDLFE-DWAXCTEOSA-N	475.476	3.033	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(F)cc2)cc1OC	59443906	AVQBRWIXYPFXAY-WPWMEQJKSA-N	499.564	3.227	50	40	JGGB	
N#C/C(=C\c1cc(Br)c(OCC(N)=O)c(Br)c1)C(=O)NCc1ccccc1	409223402	HLCLGFRUYIRXJR-MKMNVTDBSA-N	493.155	3.299	50	40	JGGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2OC)c1	409337808	WLVGZTIULHSUPO-LAINMTBBSA-N	452.507	3.494	50	40	JGGB	
Cc1cc(O)cc(O)c1/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	4017847	LHOHIUKTJOLVQK-NMFBSFOHSA-N	458.518	3.393	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1cccc(Br)c1	8384149	KXMRBYWPDTXMJI-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	8780721	IYTUVTXDUVHHIA-AWQFTUOYSA-N	473.243	3.274	50	40	JGGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)NNC(=O)c1ccccc1	9283825	GVDMKLOXTPSFJP-SFHVURJKSA-N	471.970	3.331	50	40	JGGB	
Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	16644822	GMUASSJFGHGOGX-UHFFFAOYSA-N	451.910	3.418	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1O	20059195	YJRLNZINWXVJIX-BUVRLJJBSA-N	453.520	3.131	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	20094995	ILIXLNWUYIAYOF-BJKOFHAPSA-N	459.527	3.429	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc3c(c2)OCO3)Cc2ccccc2)cc1C	34782030	GXLWGMRDGNFGDK-WGARJPEWSA-N	495.557	3.074	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1	59246555	FZGUQKZQVPOFCA-FMCGGJTJSA-N	466.763	3.464	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OC	408532270	QCUIESVSLURKBT-RGVLZGJSSA-N	454.264	3.228	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	408793429	FKTYFYSWMQMVLF-OVCLIPMQSA-N	458.854	3.233	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC	408973584	ZEJBKHSZWODVPL-LQKURTRISA-N	462.550	3.229	50	40	JGGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	409141346	IGGBYRIJFHKAEM-YNYZQSIGSA-N	455.580	3.302	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccc(O)c(O)c1	409334104	RSQMRLAHORTKQI-AWQFTUOYSA-N	491.327	3.049	50	40	JGGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)c1	827863	PGPQSPVDVMCVFH-UHFFFAOYSA-N	467.117	3.371	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)c2ccc3[nH]c(C(=O)OCC)cc3c2)c2ccccc2c1=O	12948528	RQTXAJSOMIASRG-UHFFFAOYSA-N	489.532	3.320	50	40	JGGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1cccnc1	15229693	PVAXJIQHEGAEAY-NVNXTCNLSA-N	498.326	3.460	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccc(C)cc2)cc1	19956613	TUPWCLBBHZQRCZ-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
COc1ccc(Cn2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1	23043721	ABCLPVVSPTVRDD-UHFFFAOYSA-N	492.532	3.146	50	40	JGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)c1	408529122	CCSIYWKWMFXPCG-FEGPCZTRSA-N	497.511	3.171	50	40	JGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(I)c(O)c1	409093896	BKEGBXYWHQKRRJ-WSDLNYQXSA-N	495.317	3.378	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	3410901	VQNIILXJSFGURL-UHFFFAOYSA-N	462.893	3.182	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C(C)C)cc3)nnn2-c2nonc2N)cc1	9424500	OAEBVYQJNZHSTR-DHRITJCHSA-N	460.498	3.186	50	40	JGGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(C)C)cc1Cl	9442946	GUECMKOQLUPLAI-UHFFFAOYSA-N	494.013	3.396	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)cc1	13027979	VVKQYSRCNPPEDU-UHFFFAOYSA-N	466.592	3.388	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O	16195999	MMHJEECSMXSDLI-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC	20212709	WHIZKUNGJDZCQN-YDZHTSKRSA-N	465.959	3.138	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	30734395	SFHQOIUWQFIRFQ-KMXXRUKJSA-N	489.503	3.424	50	40	JGGB	
COc1ccc2cc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)sc(=O)c2c1OC	32594770	VVFRLIAQVUOLDM-UHFFFAOYSA-N	483.329	3.426	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	58881399	JOVTWYQTOIHUTO-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
O=P(/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1)(N1CCOCC1)N1CCOCC1	100883273	RBMHEKUGMXQFQZ-GYHWCHFESA-N	471.523	3.274	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	408783241	MUYMBDXAXYWDGR-BHGWPJFGSA-N	476.908	3.341	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408998704	NTYVEXNNNMXIAN-MSIOFZDNSA-N	479.558	3.480	50	40	JGGB	
C#CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)OC)cc2)N1C(=O)CCl	585090192	GTNAAZNPXVTGPI-REWPJTCUSA-N	464.905	3.212	50	40	JGGB	
Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cccc2c1=O	9255804	FRDCBBILTUFGQF-UHFFFAOYSA-N	490.541	3.136	50	40	JGGB	
COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)nc2c1	9961616	AZLBGTCCJXTSIY-DJKKODMXSA-N	462.506	3.434	50	40	JGGB	
O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNC(=O)CNC(=O)c1ccc(Cl)cc1	20366473	IYWGOJVKOBYMJH-UHFFFAOYSA-N	492.285	3.177	50	40	JGGB	
O=C(COC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1cccs1	102268112	CNGCYKRJEYQLBQ-NYYJTOMGSA-N	455.374	3.176	50	40	JGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br	408749265	MQJIYUMKHKLMHL-UFWORHAWSA-N	456.090	3.439	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(CN2CCOCC2)cc1	408995653	KMQWGUAIADFTLS-KOEQRZSOSA-N	451.527	3.181	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409246995	AMTJIXZIXZRHDC-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1	409309336	FQPNYZIEKUXCEX-INIZCTEOSA-N	451.504	3.192	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc(OC)c1OC	3368763	KYVDQYCGZAPNNQ-JFLMPSFJSA-N	472.501	3.235	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	20059277	URVGQFVDORGYBN-HZHRSRAPSA-N	452.492	3.325	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1	58915116	SHVYCXNHRDRQCQ-DUYBAWCLSA-N	468.579	3.408	50	40	JGGB	
COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1	100338831	KTQGUJABWSRWRW-BYNJWEBRSA-N	476.920	3.146	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC	408747812	UDIKSEUPBWKMMQ-RGVLZGJSSA-N	454.264	3.471	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	409052857	ITQDZCPEPQEUBR-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Br)c3)c(C)c(C#N)c2=O)cc1	409070733	NDKMBEHSJHWFRP-MSXFZWOLSA-N	450.296	3.247	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1	409262957	GJQFDDJZXRWVGW-LGJNPRDNSA-N	486.956	3.047	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1	2634354	MMRCIRCRDMMIRT-UHFFFAOYSA-N	492.557	3.193	50	40	JGGB	
O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)NNC(=O)COc1ccc(Cl)cc1	8777270	NQGHHDSJTRLTIW-UHFFFAOYSA-N	487.921	3.037	50	40	JGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)cc1OC	12276084	RFZHAZSNWCLFOV-GYCJOSAFSA-N	468.531	3.364	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1	20210122	SPQDVDVLXYRXQH-OVVQPSECSA-N	494.573	3.254	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccccc2OC(C)C)c1C#N	408604633	VUGWTQSAIRDLNS-YSURURNPSA-N	475.343	3.487	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	408843377	FCUPGWUOKOIYPA-TTXZLZEXSA-N	465.959	3.051	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408887690	QJTMFCWQPJGOFY-MFKUBSTISA-N	481.530	3.494	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1OC	408970765	DIPGZKGXEBFZTK-RWPZCVJISA-N	466.513	3.059	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1	409057635	LMRBXOBHVNQDSB-JFLMPSFJSA-N	481.472	3.184	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(I)cc2)c(OC)c1	409180734	UXTCHMCVRSXUBQ-CIAFOILYSA-N	453.280	3.261	50	40	JGGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	409406849	DHOFIXYUGZLSEI-JEPLTPFUSA-N	487.468	3.363	50	40	JGGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)/N=C(/N)O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	2398875	KASAXATXHIHDQU-JLHYYAGUSA-N	470.492	3.256	50	40	JGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3025050	VXMPVNMTPYZRFU-YDZHTSKRSA-N	464.390	3.251	50	40	JGGB	
O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12	3404702	MYMSHSRPGQLSCM-UHFFFAOYSA-N	493.317	3.448	50	40	JGGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	13576171	FIUMDQCOZYPBSI-WSDLNYQXSA-N	477.564	3.263	50	40	JGGB	
NC(=O)N/N=C(\Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1Cl	17216636	QYSOUBGSALGQIK-CVKSISIWSA-N	467.700	3.089	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059827	YBXQOFJKKFJLRH-WGOQTCKBSA-N	495.557	3.136	50	40	JGGB	
N#C/C(=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1)c1nc2ncc(Br)cc2[nH]1	32099590	JKIWXYVSDDMXFF-WQLSENKSSA-N	469.324	3.223	50	40	JGGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)cc1	408727008	DBJPEORXAMCIMX-RGVLZGJSSA-N	454.264	3.010	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1OCC(=O)O	408908611	ASDSICWINFRAKZ-ODCIPOBUSA-N	471.691	3.104	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	409135778	QQEFTZDYSSLKTQ-WPWMEQJKSA-N	482.537	3.384	50	40	JGGB	
N#CC(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)=C1Nc2ccccc2N1	3427209	QSNRAORQEVFRHF-UHFFFAOYSA-N	478.464	3.481	50	40	JGGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCC(C(N)=O)CC3)nc12	9501807	ILQBJOIWAPCILL-GHRIWEEISA-N	470.558	3.379	50	40	JGGB	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc(Br)o1	12289733	GOXUKDOWRBKPOS-UHFFFAOYSA-N	474.336	3.424	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1	16215430	PURDZKYHEXCQRR-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
COc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	20207222	UYTIOPYRQBCWMH-UHFFFAOYSA-N	479.002	3.050	50	40	JGGB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)NNc2nc(C)cc(C)n2)c1	32889345	MBVXDSQEKWRJEP-UHFFFAOYSA-N	467.551	3.240	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1	39986603	CWMAODHIZIVWHO-XYGWBWBKSA-N	451.548	3.345	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc1Cl	100394209	AIFPQPZOOAEVOZ-SOVHRMDPSA-N	477.536	3.321	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1	408785512	ZUNGPBBEGIIPMP-MSXFZWOLSA-N	488.953	3.117	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(O)c(OC)c2)cc1	408809512	GYVZQOXGGYTAON-AUWJEWJLSA-N	464.259	3.237	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)o2)cc1	408925781	PUQZRDCTYUMVMN-GZPJKGAFSA-N	483.546	3.428	50	40	JGGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1O	409025626	VEQMDDOPAIWJBP-GZPJKGAFSA-N	483.546	3.498	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OC	409146640	RTOUAIXLJOVDSZ-UFFVCSGVSA-N	482.274	3.120	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1	409159916	VYCJQSBWVQIALX-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)c2)cc1	409263680	NQXSFMZCCAQCNG-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1	409333736	ITLZGDCXKQFFHA-LEEXQRRLSA-N	457.527	3.264	50	40	JGGB	
Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2cc(Br)cc(Br)c2O)cc1	1633093	UJYUMVVFXITEMN-OLZOCXBDSA-N	489.551	3.335	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OCC	2176110	VTVQRKOLMRSTMH-BUVRLJJBSA-N	459.568	3.183	50	40	JGGB	
CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	3764544	CXCNBDDXZMMPMM-ORMFSKTFSA-N	477.473	3.278	50	40	JGGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccncc1	8820042	REQQHKMTASUMEE-UYRXBGFRSA-N	498.586	3.033	50	40	JGGB	
O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C1/C(=O)Nc2ccc(Br)cc21	9144942	HAMCJIPWMLFHHD-UHFFFAOYSA-N	475.306	3.333	50	40	JGGB	
O=C(NNC(=S)NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccccc2)cc1	12289747	ATIDARZZVHSHHB-UHFFFAOYSA-N	487.335	3.244	50	40	JGGB	
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C#N)n2)o1	16268192	VPRXANOXSJTEJL-BRJLIKDPSA-N	470.449	3.147	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1	408616191	XAGDZKPGERENBT-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(Br)cc1	408771242	FCXGIAZEKPCFQU-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1	408892143	GOLBRCSWZRQSAZ-GCMSVZMUSA-N	489.985	3.148	50	40	JGGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)c1	2204491	CXYIWXPZLIINOT-SDNWHVSQSA-N	455.521	3.152	50	40	JGGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)NC(=O)c3cccs3)c2)c(C)c1	3229928	PXYJBEHORMFBQF-UHFFFAOYSA-N	488.616	3.115	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1OCC(N)=O	9583582	RADNFSSQCDHRFX-IPPBACCNSA-N	469.501	3.324	50	40	JGGB	
O=C(COC(=O)c1ccccc1NCc1ccco1)NNC(=O)c1ccc(Br)cc1	9671569	KYYOVWVPVSMIFV-UHFFFAOYSA-N	472.295	3.272	50	40	JGGB	
COc1cc(OC)c(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)cc1OC	14246705	PWQWDRFRRPOSFV-UHFFFAOYSA-N	450.491	3.143	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1	408908740	YIFVMOHAQVMTTH-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc(F)c1	409129683	RZSSCTLTGGPPCV-VULFUBBASA-N	487.484	3.082	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1ccccc1C(F)(F)F	409166534	FEXKZADGQMDQCL-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccc(Cl)cc1	3456422	MVSCOWHHGNPZSQ-UHFFFAOYSA-N	455.923	3.166	50	40	JGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CC(=O)OCc2ccccc2)c2ccccc21	8448709	ZSVGDLZLYJVNJV-NDEPHWFRSA-N	483.524	3.382	50	40	JGGB	
CCOc1cc(C(=O)NNC(=S)Nc2ccc(CC(=O)OC)cc2)cc(OCC)c1OCC	9161265	HYVSXARCNKLEEA-UHFFFAOYSA-N	475.567	3.230	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1O	20059938	PJJPBKKNCCTQNG-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1	20209010	FWMBPIZTHHJYIZ-LSHDLFTRSA-N	496.383	3.218	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(OC)c1OC	408826671	IQRBXKGKXUODDW-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC	408972815	VVNMBGKFZSVDBY-KOEQRZSOSA-N	471.579	3.119	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)cc2C)cc1	409330092	JONKWXYNNCBMSF-AZPGRJICSA-N	490.585	3.304	50	40	JGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	2503561	HKWGHICAKOLXTP-FGZHOGPDSA-N	454.486	3.316	50	40	JGGB	
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1	9833578	DKHNZHJVPXHRJR-RUDMXATFSA-N	498.786	3.225	50	40	JGGB	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	12851524	ZKPWNBRCIZQTAF-LBPRGKRZSA-N	460.886	3.182	50	40	JGGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21	13425259	JELANFPOKQMIEC-LFIBNONCSA-N	462.465	3.198	50	40	JGGB	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1	22689702	FOBMZDANNSTVBJ-QFIPXVFZSA-N	463.559	3.326	50	40	JGGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	408842893	LRNDDCHZXDMJOC-NTEUORMPSA-N	475.501	3.439	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1O	2020902	JGMCOCPQYQQHTR-VULFUBBASA-N	479.489	3.443	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	3061771	NNDYJMVSEWTFOR-AWQFTUOYSA-N	485.132	3.405	50	40	JGGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)ccc1O	12275121	UGBZSKPNSYCGHT-VOIUYBSRSA-N	468.531	3.451	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Br)cc1	15018714	KVIOQIVHSSKTSW-WYMPLXKRSA-N	496.789	3.472	50	40	JGGB	
O=C(COc1ccc(Br)cc1Br)NNC(=S)NCc1ccccc1	15873117	URXWKBQFNZDKIT-UHFFFAOYSA-N	473.190	3.286	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	19926392	OABIZBQQCMUHMP-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1	408735844	XIDXCEZYLSVGEI-WYMPLXKRSA-N	496.789	3.472	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408779482	XHFFHGZIXPWKBP-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1	409266319	QRIFUYIBZNWTIV-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc2c1OCO2	2256221	BSJVAXQLWLPUEL-QFIPXVFZSA-N	457.486	3.355	50	40	JGGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1	11673165	VEKBQFDILQJAGM-UHFFFAOYSA-N	477.945	3.247	50	40	JGGB	
O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1Br	12880847	CHUVXKCWUHHOCJ-AWEZNQCLSA-N	464.747	3.416	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)S(=O)(=O)c1ccccc1	20461340	BSJGNQJBIUAYRI-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NC1CCCCC1	28214675	ZLSQFOBMQWENGQ-MTDXEUNCSA-N	478.593	3.110	50	40	JGGB	
N#C/C(C(=O)COC(=O)CCC(=O)c1cccs1)=C(\c1ccc(F)cc1)N1CCOCC1	33488954	BOHBXZMERYTILV-NKFKGCMQSA-N	456.495	3.229	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1	409158262	QYMVRJWKWQWRSX-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1	409260992	ZNSHMGVFHHVKRG-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1	2662190	OWZLYGJIHOLNQW-UHFFFAOYSA-N	489.513	3.156	50	40	JGGB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1	4015940	QUXJVDNTSOQQFK-KRXYVZHUSA-N	471.145	3.146	50	40	JGGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(O)cc3O)nc3ccccc3c2=O)cc1	4456300	CYLZMVCJQSPXAF-MXAYSNPKSA-N	460.515	3.348	50	40	JGGB	
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1	9434173	OFHPOESNWYHMFH-HXUWFJFHSA-N	457.490	3.434	50	40	JGGB	
O=C(COc1ccccc1Cl)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	14119594	UKAXTJXKLNCHEH-UHFFFAOYSA-N	486.377	3.008	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	408861505	BLCUCENJLCNANJ-DHRITJCHSA-N	460.506	3.289	50	40	JGGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1	3290216	AUZVEJUTUYXIET-UHFFFAOYSA-N	484.559	3.195	50	40	JGGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)cc2)ccc1Cl	32913619	NHQZORKTUNGKHM-LJQANCHMSA-N	472.973	3.382	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1	408611618	RCVMPPMBJYECEM-SQAVSUBZSA-N	474.945	3.121	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1ccccc1F	408862666	HJDLNVCWLTTZTG-DHRITJCHSA-N	460.506	3.289	50	40	JGGB	
CC1CCN(c2ccc(/C=N/NC(=O)CN3C[C@H](c4ccccc4)CC3=O)cc2[N+](=O)[O-])CC1	408972410	BOEGHRJJTQLMCH-YNYZQSIGSA-N	463.538	3.297	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	1092125	KCPUUOKWJGEAAD-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	9290554	IKKAVKVYRVZYNG-CWGWECIMSA-N	462.527	3.045	50	40	JGGB	
CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNc3nc(C)cc(C)n3)c2)cc1	12584099	IBBKVXWIRIYXLZ-UHFFFAOYSA-N	455.540	3.358	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccccc2)o1	409161679	ADWJYERUWNIYJU-ANDSAHIGSA-N	450.451	3.197	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1	409260558	RZIXZETWQOHYPX-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1	409268311	SDESWCLAVCKZOR-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	1202849	VGLJHIPKNKITMN-IFRROFPPSA-N	457.122	3.493	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccs2)ccc1Cl	9508707	UNKXZSOWTCBLQQ-UHFFFAOYSA-N	465.940	3.286	50	40	JGGB	
CCc1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1	12804585	VFXMJWVUOJQLEZ-UHFFFAOYSA-N	458.356	3.325	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	19926422	YBZWFDAUVWVXES-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	29763265	HDWFUMKKMNGEDS-QUXBYSIASA-N	492.410	3.128	50	40	JGGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	408610318	STVZIYPDYQBMJT-UVHMKAGCSA-N	465.893	3.414	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cccc(C)c2)cc1	408774485	OOXGEBSDNWPGNF-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1	408888814	BECKAEYKFQFYNM-GHRIWEEISA-N	465.487	3.316	50	40	JGGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O	408904080	DKBYGZUANUJCIP-UKWGHVSLSA-N	483.262	3.227	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1OC	409007862	ZYFGHCKSGLCVJM-WPWMEQJKSA-N	481.549	3.280	50	40	JGGB	
O=C(N/N=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc(O)cc1	3082623	PMUSUPZWMPYWGC-WSDLNYQXSA-N	450.363	3.192	50	40	JGGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccc(OC)cc4)n12)CCCC3	13499884	GMOYQQXMIVGNQR-UHFFFAOYSA-N	496.618	3.342	50	40	JGGB	
COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1OC	16228180	ZSFWCZVFDTWBKQ-JLPGSUDCSA-N	459.568	3.178	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	19947921	UXQZQILYSZZGSR-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059791	QSOPPKMPLNKHCJ-WGOQTCKBSA-N	495.557	3.275	50	40	JGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408792064	HFNPTUPZWIHDJY-LDADJPATSA-N	452.463	3.359	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C(=O)O)cc1	408967203	QOSNZWCTXUBFJK-MXAYSNPKSA-N	479.445	3.410	50	40	JGGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cnc(Cl)c(Cl)c1	3351846	AFYYVVYBIJXPSA-UHFFFAOYSA-N	468.300	3.221	50	40	JGGB	
Cc1ccc(SCc2n[nH]c3c2[C@]2(C(=O)Nc4ccc([N+](=O)[O-])cc42)C(C#N)=C(N)O3)cc1	9460835	BXAXGSWYVQILJK-JOCHJYFZSA-N	460.475	3.243	50	40	JGGB	
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	9634476	CFWIJVKSPDBCCF-CYBMUJFWSA-N	454.483	3.271	50	40	JGGB	
CCCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1OC	12974631	YCZBTKUDRTWYAE-UHFFFAOYSA-N	463.416	3.158	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	15223365	MRALRXXIFMZMTB-WGOQTCKBSA-N	481.574	3.441	50	40	JGGB	
N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	18208697	ZJTGAWMXWZCBPC-XSDIEEQYSA-N	474.860	3.267	50	40	JGGB	
CCOC(=O)CNC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1	20348212	QKTXGRQNKGGCAJ-OAQYLSRUSA-N	495.557	3.088	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccc(OCC(N)=O)cc1	20457638	FDXURYAZLDTIQJ-KRWDZBQOSA-N	456.289	3.466	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1OC	25504277	XACRSSHODOQORW-LJQANCHMSA-N	492.370	3.072	50	40	JGGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)c1	408777720	GWXHVBCXCYIHKS-MSXFZWOLSA-N	488.953	3.117	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1	408791281	YFDVDFWZRIOZLM-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1	2648325	AZCMYFZMSYQHQV-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](CC(C)C)NC(C)=O	4707749	SWXCQOFAVJKBPJ-RTWAWAEBSA-N	488.456	3.112	50	40	JGGB	
CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)c1ccc(OC)cc1	6878290	BGDBVQSFTKCERF-UHFFFAOYSA-N	474.974	3.125	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	8820467	OMLQCTGWGVKCLW-KGTQDBRDSA-N	482.543	3.204	50	40	JGGB	
O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1cc2ccccc2oc1=O	9613470	ZZVXHUBRDXXSAL-UHFFFAOYSA-N	480.458	3.259	50	40	JGGB	
N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1	12276793	NOBBTUAIDUUHMP-AWEZNQCLSA-N	453.436	3.214	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C	12427803	ZZDVUOGNSHBRBB-SRZZPIQSSA-N	460.357	3.496	50	40	JGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCc1ccccc1	13401056	SLGRBRUSKBVHJQ-CPNJWEJPSA-N	463.515	3.467	50	40	JGGB	
CN(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccc(Br)cc1	16186750	CDDCTSFGHSJMEF-AWQFTUOYSA-N	462.728	3.012	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)ccc1O	408923278	VMSYSFHOYWCCAH-UFFVCSGVSA-N	460.339	3.014	50	40	JGGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OC	409141389	JPATUVPRWRJACA-KRWDZBQOSA-N	479.318	3.428	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)c1	409151792	DCSGNUAEWIBSGP-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)cc1C	409157805	QIWCHSWJRCZEFL-BHGWPJFGSA-N	489.370	3.058	50	40	JGGB	
Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)c1cccnc1	13955605	QXTPBWUYZMPDPR-XMMPIXPASA-N	453.502	3.268	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O	16226504	HRZQXSSJXDVQEY-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1	20059745	HTWQKCAVZQSAJO-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccccc1	20493147	LEAURGAVPYMAQU-YZSQISJMSA-N	495.557	3.356	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1	28214981	WYISQEHWKDPPMB-XJJRJDJVSA-N	459.502	3.233	50	40	JGGB	
O=C(CSc1ncccn1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28215057	GPFJGCMGXKWSIZ-BRJLIKDPSA-N	455.927	3.390	50	40	JGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)cc(I)c1O	106407778	IGCWGJYRGZWPJX-LSCVHKIXSA-N	459.627	3.251	50	40	JGGB	
CC[C@@H](C)Oc1ccccc1/C=N\NC(=O)Cn1c(C)c(Br)c(COC)c(C#N)c1=O	408601903	MBBYPGPRQIUDTF-MVUDBPPZSA-N	489.370	3.265	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)c1	408777936	MNTHEWPOFVEABZ-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OCC	408989804	MENWVBAFZPSVGG-VOZXZEHESA-N	479.537	3.195	50	40	JGGB	
CC(C)C[C@@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)NN=C1CCCC1	1434831	BDZZAEFTZQYJBZ-MRXNPFEDSA-N	477.368	3.030	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OC	9355314	ZXZOHZZOVJUBHI-AWQFTUOYSA-N	499.261	3.054	50	40	JGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1I	9972333	ORQXZBJROAYGIB-DJKKODMXSA-N	469.235	3.046	50	40	JGGB	
CC(=O)[C@H]1[C@H](c2ccccc2C(F)(F)F)[C@](C#N)(C(N)=O)[C@@H]2C=C(c3ccncc3)C(C=O)=CN21	16321875	RPQNIBCUKWYGBF-GRSYGWAWSA-N	480.446	3.001	50	40	JGGB	
N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	23224678	OWQQBDQLJKYDHI-JTDSTZFVSA-N	485.484	3.278	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O	408861192	PBZKCEYSPKJFQQ-VULFUBBASA-N	486.569	3.467	50	40	JGGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccnc1	8819728	SALHYODQVSKOEO-JXAWBTAJSA-N	454.577	3.304	50	40	JGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)cc1	9090291	RDRZBXPLCLSKIM-OBGWFSINSA-N	452.536	3.492	50	40	JGGB	
Cc1nc2ccc(Cl)cc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	10624080	LLWPRZBAHOVTDB-UHFFFAOYSA-N	472.954	3.056	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1O	108927313	TYLJKGBJPYGXOU-KEBDBYFISA-N	470.263	3.177	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	211032233	VUUGIMMDLYDMQE-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1)c1ccccc1	408726222	KBYIMGVXMSPFBC-YZSQISJMSA-N	462.531	3.319	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408780060	RBYMVPSBOZFTME-PCLIKHOPSA-N	465.531	3.127	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1OC	8399660	CFAXAVHGZUCBQB-PDGQHHTCSA-N	462.506	3.377	50	40	JGGB	
Cn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1C1CCCCC1	12496556	NIZIBPWNSWMYSL-UHFFFAOYSA-N	452.378	3.179	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	16692806	JCYHTAFVGGXBLR-YZSQISJMSA-N	481.574	3.435	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	19950481	ZBOLHGZTRAXPIG-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	58881155	FUQIFASQQQMHQT-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(F)c1	59247033	DUDQJLQCQWQPAA-MXAYSNPKSA-N	494.361	3.348	50	40	JGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1	104473416	PAMMZEGCKFHCKJ-ZZEZOPTASA-N	491.573	3.424	50	40	JGGB	
COc1ccccc1/C=N\NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC	108993636	NMLSAGQSWFDLMP-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(NC(C)=O)cc1	408636952	DKHLEOSZKCPRIG-UHFFFAOYSA-N	472.958	3.130	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1cccc(Cl)c1Cl	408683141	KMHGASJAAHQYJA-PNTLAUBNSA-N	463.111	3.046	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1	409166143	BRYHBOUXFGKRFE-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1Br	9845931	LKPWNQFKKIZYIJ-DJKKODMXSA-N	455.106	3.309	50	40	JGGB	
CCc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1	10371215	KMIGIKIWMJPIIB-UHFFFAOYSA-N	467.595	3.313	50	40	JGGB	
C/C(=N\NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1	12524828	DMUHQYHIUFBHCU-JFLMPSFJSA-N	493.511	3.380	50	40	JGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1OC	13894073	LOHMIYSDRIHYLD-MZJWZYIUSA-N	492.484	3.353	50	40	JGGB	
N#CC1=C(N)N(S(=O)(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	20086018	LGWAPHZMUZHERA-YADHBBJMSA-N	474.498	3.328	50	40	JGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(I)o2)c1	107736854	BBJOANFMSMSVOF-REZTVBANSA-N	479.068	3.428	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1Cl	408661071	AXPZGIGXMLGRQU-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC	408772937	NNLPYFFJYDCTAO-YZSQISJMSA-N	496.589	3.115	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408777645	DWIJCLWYZZMNAT-PCLIKHOPSA-N	465.531	3.266	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccccc2)cc1	408922473	BFPRBBHJRYWSOR-YZSQISJMSA-N	495.557	3.356	50	40	JGGB	
COc1cccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)c1	409063646	ANUDZIKQLDWMSE-PPDIBHTLSA-N	455.396	3.204	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1)Nc1ccc(F)c(Cl)c1	409165838	ANZWWEJJLYHRFR-WKULSOCRSA-N	496.926	3.306	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1CSC1=NCCS1	2406741	PUKCLIRXOIQZCJ-KHAGQWAKSA-N	476.584	3.464	50	40	JGGB	
N#CC(C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)=C1Nc2ccccc2N1	3283980	KBMXAKFNZXXZBB-QHCPKHFHSA-N	492.491	3.279	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2)cc1	8722481	KIPXHCUKICPCMJ-PCLIKHOPSA-N	481.530	3.129	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nnnn3-c3ccccc3)o2)cc1	16157574	RCBWDZJNLHBWSG-ZVHZXABRSA-N	476.518	3.341	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1Cl	139130984	OZMQLVCBHJTIKP-LRGYGIHKSA-N	454.910	3.189	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc1Cl	226382233	AIFPQPZOOAEVOZ-DQYLABDYSA-N	477.536	3.321	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)S(=O)(=O)c1ccccc1	408779213	SGHMMABNLXTTEC-PCLIKHOPSA-N	467.547	3.309	50	40	JGGB	
O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cccc(Cl)c1	3330016	CXJLRMXKGPNLIH-UHFFFAOYSA-N	456.351	3.243	50	40	JGGB	
O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccn1	9339508	TWTRCOADNIVMAR-NRFANRHFSA-N	461.909	3.019	50	40	JGGB	
O=C(CCc1cccc(S(=O)(=O)N2CCOCC2)c1)NN=C1c2ccccc2-c2ccccc21	33045846	KFEGSWHXCDVAME-UHFFFAOYSA-N	475.570	3.189	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1	33713743	HMLHOHUKSUKXQO-CIAFOILYSA-N	455.452	3.318	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccccc2)cc1	59435463	GPJOBHVDMKMHRF-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
COC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl	101114657	YZEXNPMMKNWXJM-LFIBNONCSA-N	454.866	3.361	50	40	JGGB	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1	108422589	RNLULBBIHMVNQK-ZHZULCJRSA-N	481.405	3.424	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	138515794	VNYFJZOEKZANBW-PZBISTMVSA-N	454.910	3.189	50	40	JGGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	409009238	CHFOKEVRIJTKDP-ZVHZXABRSA-N	470.482	3.075	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccc(F)cc2)cc1	409056663	SPVIARZAYBDZHB-AFUMVMLFSA-N	484.509	3.384	50	40	JGGB	
CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2)C1	8691685	QISWOSDHURNRNC-PTFSYIGCSA-N	451.527	3.444	50	40	JGGB	
C/C(=N\NC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)OCO2	20159466	MTHMHUYDVHLNOM-FDMDUGQKSA-N	455.492	3.236	50	40	JGGB	
CN(C)c1cccc(C(=O)N/N=C/c2cc(Br)c(I)o2)c1	59104781	AGMGRIAWRQEWCK-CAOOACKPSA-N	462.085	3.477	50	40	JGGB	
CNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408779978	PBEABMYVHOOMDL-NVNXTCNLSA-N	462.243	3.221	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1	408783182	LSXFBMSIDBDHBL-LFVJCYFKSA-N	461.584	3.308	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)cc1	409175838	VNMTUHOIZZPJQZ-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1	12548541	MCJBURKLPCHAPU-UHFFFAOYSA-N	453.520	3.188	50	40	JGGB	
O=C(N/N=C/c1cc(I)cc(I)c1O)c1cccs1	13687759	VKXILEXDPOKZHV-GIDUJCDVSA-N	498.083	3.427	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1O	20499762	PNEJFUMIEAIWOT-AFUMVMLFSA-N	471.510	3.194	50	40	JGGB	
O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	32256931	LQSAYKFDROVCQO-UHFFFAOYSA-N	451.548	3.059	50	40	JGGB	
COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1O	33452168	HWBSYJPBOPRQJH-XFVPJXQESA-N	458.518	3.388	50	40	JGGB	
COc1ccc(C(=O)Nc2ccc(Br)cc2[C@@H](NCC(=O)NN)c2ccccc2)cc1	57054054	ICLUSXDBEHEPCN-QFIPXVFZSA-N	483.366	3.379	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	409163282	OVBUPKRPILDANK-KBKYJPHKSA-N	493.347	3.080	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c1	8686593	PLMNPAFGDRTOKY-PCLIKHOPSA-N	481.530	3.421	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1OCc1c(F)cccc1Cl	9287290	CDBRBNKMVBWBRR-LIMNOBDPSA-N	461.837	3.322	50	40	JGGB	
Cc1ccccc1C(=O)NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	9591341	OWMWWAHVYKJPAA-APWZRJJASA-N	460.889	3.051	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC	33572911	JQYADOMVIUSXAZ-WSDLNYQXSA-N	491.285	3.034	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1OC	408728866	VTRUCDDWCFNTNS-CIAFOILYSA-N	468.291	3.400	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCCCC2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408847286	SVIVTBKKHRQHMK-CKMDTHJYSA-N	464.975	3.227	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c(OC)c1	409017471	RQPXMWUQRUJZEW-ORBAKXMTSA-N	461.946	3.417	50	40	JGGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1	637267	GALVKMMNDSDGBJ-CIAFOILYSA-N	468.291	3.487	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(Cl)c(Cl)c1Cl	13750669	IMWKECOIXUXBLE-QPSGOUHRSA-N	457.709	3.470	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2F)cc1	20499726	ZCNBQHFAFOLGDP-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	408775312	SEBCYBXRLRQBIF-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O	408866015	DAPPYIFMMZISNV-WSDLNYQXSA-N	453.948	3.052	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1	409329067	CHHLDIUBDTYXFT-LJQANCHMSA-N	472.611	3.008	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	1783835	ASNJZKYNHGCEGV-VNAVCLDZSA-N	477.590	3.421	50	40	JGGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19950951	BICNIJXIJWZMLM-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	20211011	OPNLFSCBDGRRDH-ZMOGYAJESA-N	457.474	3.411	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccccc2)cc1	408923824	GYSXHPOWZBWDJT-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2cc(Br)c(I)o2)c1	408954373	SRNTXIYKDMLDAS-LSCVHKIXSA-N	492.111	3.242	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc([N+](=O)[O-])c1O	409085307	ZFCHQLUJNXELHR-YAXRCOADSA-N	475.049	3.001	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	3397168	FFEXUEQFEOUAQP-UHFFFAOYSA-N	486.377	3.251	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	6906806	YSKJKMRMDNCCTQ-YDZHTSKRSA-N	464.390	3.495	50	40	JGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	8780693	SMMJEHJBAGXDBB-AWQFTUOYSA-N	473.243	3.274	50	40	JGGB	
Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)sc2c1	17010457	QGBRHVAHJOYVEL-IYBDPMFKSA-N	474.608	3.468	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2F)cc1	19816732	GQTUWUQQMQLYAE-AFUMVMLFSA-N	469.494	3.178	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c1C#N	59427757	DOTUAOAFTYHLNF-QPJQQBGISA-N	467.707	3.059	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1	59472780	FLAMGFZUKCIYOH-YZSQISJMSA-N	462.531	3.243	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl	408648488	YQNCGZIKHJTLNP-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	409185562	MNRWXENISAUGJQ-KOEQRZSOSA-N	480.546	3.287	50	40	JGGB	
COc1ccc(O)c(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c1	1092030	OUSYJHUGVFMPKC-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Br)cc1	3316488	ZDBKHQATZSGRIQ-UHFFFAOYSA-N	480.384	3.089	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1OC	9110757	VLGCNIUJRVEJBD-YADHBBJMSA-N	479.558	3.422	50	40	JGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c1	9634828	CZSBVAJIKFWUBS-YZSQISJMSA-N	480.590	3.187	50	40	JGGB	
CC(C)n1ncc2c(C(=O)NNC(=O)Cn3cnc4ccccc43)cc(-c3ccccc3)nc21	15708284	SOQXWGAAGZFIKX-UHFFFAOYSA-N	453.506	3.490	50	40	JGGB	
COc1ccc(OC)c([C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	16034926	HLXJRGIADUBUFF-TZIWHRDSSA-N	461.522	3.364	50	40	JGGB	
COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)Cn1c(-c2nonc2N)nc2ccccc21	16134350	MZULWVBIXKOQEX-NYAPKIOYSA-N	460.281	3.134	50	40	JGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	408782853	KHSQXCCDLXGWCC-CIAFOILYSA-N	452.374	3.489	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409134595	SINFTMHYPAMDEG-OALUTQOASA-N	455.923	3.450	50	40	JGGB	
CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21	13557493	ADWDRYFEDNJSHP-UZYVYHOESA-N	462.506	3.054	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c(C)c1	16284777	LWPYGFQFTFTBGS-YDZHTSKRSA-N	470.507	3.388	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1	19926415	MPEXYMPHFREDSS-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1O	19949689	ULSQNUVGZUZOJZ-BUVRLJJBSA-N	498.517	3.045	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1	19954249	APDLQZATCFMUQK-MFKUBSTISA-N	485.949	3.476	50	40	JGGB	
COc1ccc(CCNC(=S)NNC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)cc1OC	20312152	XMYXDRCBCJXOGC-ZDUSSCGKSA-N	471.501	3.228	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1C	33712273	FSPUGGXCOHXYNI-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
CCN1c2ccccc2C2=C([C@H](c3cc(OC)c(OC)c(OC)c3)C(C#N)=C(N)O2)S1(=O)=O	57510548	VMHFYGRVWFHDHF-LJQANCHMSA-N	469.519	3.059	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)=O	408763340	PDPFUMOCCNKHLD-KEBDBYFISA-N	497.245	3.287	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)C2CCCCC2)cc1OC	409111249	BQPXLFCLYYPRKE-MFKUBSTISA-N	477.558	3.317	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc(C(=O)O)c1	409235464	QFGOKWJTWWIZLN-CHHVJCJISA-N	488.294	3.227	50	40	JGGB	
Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	725661	JNYXHAMLUPUEQI-ROMGYVFFSA-N	457.446	3.023	50	40	JGGB	
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cc(Br)c(O)c(Br)c1	1433525	PZWUQDRFXVZIMM-CNHKJKLMSA-N	473.077	3.355	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	36101828	ILIXLNWUYIAYOF-RPWUZVMVSA-N	459.527	3.429	50	40	JGGB	
CC(C)CCN1C(=O)/C(=N/NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21	102982142	FKQBQYLQHHEDTK-WNAAXNPUSA-N	482.606	3.388	50	40	JGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)cc(I)c2O)c1	105554368	GXDBGSWHJOWNDV-UFWORHAWSA-N	460.655	3.431	50	40	JGGB	
CCC(CC)=NNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	408728994	WWDQKYKHZVVMHJ-UHFFFAOYSA-N	478.527	3.100	50	40	JGGB	
COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2cccc(C)c2)cc(OC)c1OC	408996934	KOIMKQDIEPJUQU-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccc(Cl)cc1	409158706	YHSOOPARBJZMSW-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1	634232	VAMXNSAQFSUZDS-MMWCCMKASA-N	451.338	3.168	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccccc1	863938	ACGIDZKYJMJZEZ-ZMOGYAJESA-N	483.550	3.150	50	40	JGGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	3115416	DHKVFEDLACIVTO-WYMPLXKRSA-N	470.279	3.141	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC	3206774	CROJJDUXAADNBQ-LGJNPRDNSA-N	478.457	3.424	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2cccc(F)c2)c1	6259973	PPCQWBWLVGAOGY-OUKQBFOZSA-N	469.494	3.110	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccnc3)nc3ccccc3c2=O)cc1	9122330	PFRRAVKRQHUKAC-JVWAILMASA-N	459.531	3.422	50	40	JGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1	13811033	ASTVDCMKHNHZMX-MRMAUXFQSA-N	457.534	3.471	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C)cc2)cc1	59443710	IVGHUOMGKOFLKN-OVVQPSECSA-N	492.601	3.337	50	40	JGGB	
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	101873247	KIYFNBKONQMDDJ-KSENJXAKSA-N	484.188	3.100	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccc(C)cc2)cc1	408927078	XWOUHQUQUCYIHM-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc(Br)ccc3O)s2)c1	1501937	WHVVPWPMNQHEGW-UFFVCSGVSA-N	474.340	3.260	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Cl)c1CSc1nc2ccccc2o1	2190344	WIWCWZNDHLMQOH-NUGSKGIGSA-N	495.912	3.083	50	40	JGGB	
O=C(Cc1c(F)cccc1Cl)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	3322392	LIGYFBYXUWRNRD-UHFFFAOYSA-N	464.884	3.241	50	40	JGGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccccc1C(=O)O)N/N=C/c1ccccc1C(=O)O	8871565	BHJOCUBPBNOXIJ-CTVDDJEBSA-N	480.521	3.414	50	40	JGGB	
COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2c1	9381818	CUKIAPLWVANUEW-AWEZNQCLSA-N	460.581	3.482	50	40	JGGB	
COc1cc(SC)ccc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	9885257	UVBBFPXYHMTXBJ-UHFFFAOYSA-N	474.542	3.250	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccc(C)cc1	12250239	PJLDAALXNLWTLT-SFTDATJTSA-N	465.531	3.113	50	40	JGGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)c1	12276022	LLIATVXWSXRXTK-UPCLLVRISA-N	468.531	3.364	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccc(OC(=O)N2CCOCC2)cc1	13403924	NJBNMSFDHCLUFM-LJQANCHMSA-N	488.460	3.034	50	40	JGGB	
CCCNC(=O)C/C(C)=N/NC(=O)COc1cc(C)c(Br)cc1Br	14921970	NOAZMEHNPMCNRU-RGVLZGJSSA-N	463.170	3.307	50	40	JGGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	19951125	HZWDYBPPKQDUOD-FYJGNVAPSA-N	462.325	3.388	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)c1	19951356	KQMRFBQLPUGADZ-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
O=C(NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc(COc2cccc3cccnc23)cc1	22617201	MAWXSJWVYFLRSJ-HSZRJFAPSA-N	467.481	3.357	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2)cc1	59443708	WKEQFKNIQACXHR-NLRVBDNBSA-N	478.574	3.029	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCC(=O)OC	409187778	CACSJOUICMOQPG-ZSOIEALJSA-N	451.317	3.365	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)cc1	409272890	UCFDVVSRGSJWNG-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)cc1	10078401	HQRLZJVLIRQGPM-HWNIBJRTSA-N	484.043	3.310	50	40	JGGB	
CC(C)N(CCn1c(S[C@@H](C)C(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O)C(C)C	12752005	QXFFFZMQAUFBGA-IBGZPJMESA-N	495.649	3.457	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)nnc1-c1ccc(Cl)cc1	26900869	ARUGVGRACDSMIY-UHFFFAOYSA-N	475.958	3.189	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NCc1ccco1	28215562	MUWXIPHIKJAPOL-BHGWPJFGSA-N	456.842	3.300	50	40	JGGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408936700	IHCFZGMYJCNUGN-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(OC)c1	409173262	HZTDPZPLCDQSNY-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1	409254802	FSZVQMKARTYUHH-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2I)cc1OC	3117358	FXBPRSKVIVHINI-CIAFOILYSA-N	481.290	3.177	50	40	JGGB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)c1	8819213	QQTRYITXBVAWDO-JXAWBTAJSA-N	455.561	3.138	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccccc1	19949874	SQYLBJZQAWMZID-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c1	20207702	JUEYPEFGLKOGHB-LPYMAVHISA-N	456.480	3.080	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(C)(=O)=O	20212519	QPEROCXIYHITLJ-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21	101231298	UWOMGPXMJVHMLQ-ATJXCDBQSA-N	466.544	3.216	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1cccc(O)c1	408732358	VBQKBNDOKMMGHE-KEBDBYFISA-N	475.328	3.343	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCC(=O)OCC	409024472	TXTAMEVXTVCFTN-MBTHVWNTSA-N	477.517	3.443	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c2ccccc21	409338086	CVNPCAPRWACMPK-XTCLZLMSSA-N	482.949	3.032	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nnc1-c1ccc(OC)c(OC)c1	1252562	VSCRRUVLMRSKBL-YDZHTSKRSA-N	455.540	3.233	50	40	JGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1OC	9010532	MNAUUKASRBYXPZ-HXUWFJFHSA-N	494.504	3.346	50	40	JGGB	
COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12	9381905	VKSHKNNVHRLIDW-UHFFFAOYSA-N	476.580	3.245	50	40	JGGB	
COc1cc(C(=O)N/N=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)ccc1I	12363914	GHDAIYLDFSRJAZ-SYZMQFJCSA-N	476.274	3.054	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccc(Cl)c(C(F)(F)F)c1	15231309	RMYQGGAJGQMMEY-OPEKNORGSA-N	488.875	3.177	50	40	JGGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Br)cc1)OCc1ccccc1	408991829	RDFTXVCUOHNUNG-ZDZUNBPVSA-N	470.327	3.160	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1Cl	409157082	UOMOIPQLSURBJR-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)c1	409169481	PZYVNKDKVRSRGJ-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1Cl)Nc1ccccc1Cl	409268344	ZDFRWONGPJRHLU-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1	3082563	ZAIOZRAWPHBHBZ-NWJFTTBMSA-N	481.574	3.052	50	40	JGGB	
CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	3764546	CXCNBDDXZMMPMM-SHIRAINQSA-N	477.473	3.278	50	40	JGGB	
COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)c1	12275161	BGVNSOIBADWXNZ-XDHUDOTRSA-N	468.531	3.364	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(Cl)c(Cl)c1	408687935	VIDLNSSXBWRFHL-XOKVJCJLSA-N	463.111	3.046	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	408748655	GAYGMJGSCWADRR-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cccc(-n4c(C)ccc4C)c3)C(=O)NC2=S)cc1	408762821	CBITVOQMUFFWBL-WZRHPCBOSA-N	473.558	3.182	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	408894575	IRUMFDIKIYRGMG-OEAKJJBVSA-N	482.474	3.085	50	40	JGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1	408906888	DXUHKWSCLPOFHY-TTXZLZEXSA-N	461.360	3.323	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC	409006632	QIYOBXHHQPIGJC-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1	409248490	GTESUQFXALJWIS-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1I	881069	HJJMUXLSCBGFFO-UFWORHAWSA-N	489.653	3.391	50	40	JGGB	
Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(Br)c1	2134564	NXRZLIOJABLTMF-UHFFFAOYSA-N	462.344	3.319	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3Cl)nnn2-c2nonc2N)cc1	2325455	DQYAXTOUFHRLOZ-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)NCc1ccccc1	9933812	NEMRKCHXOHECCA-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
O=C(Cc1ccc(F)cc1)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	12785913	YLKICZJMUHZXQI-UHFFFAOYSA-N	489.956	3.060	50	40	JGGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O	16401491	BYZWJDBHCMWTPB-ODCIPOBUSA-N	489.551	3.337	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	19926424	KXBXXDABGMUKDA-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c1	19951423	YVEJMEDYCVPNMR-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	20213532	IKUWOCLJXFZBBI-PCLIKHOPSA-N	452.536	3.214	50	40	JGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@H]4[C@@H]3C2=O)c(C)c1	253487027	CXFRDMWUCFEAGE-MLCQCVOFSA-N	468.469	3.230	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O	408752292	CYQKURUENSUROD-JAMLUQCHSA-N	489.594	3.162	50	40	JGGB	
CCOC(=O)/C(=C/NNC(=O)c1ccc(OC(=O)c2ccccc2)cc1)C(=O)c1ccccc1	408894960	SMMHJVYBCRIZHY-OQKWZONESA-N	458.470	3.470	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cc(C(F)(F)F)ccc1Cl	408922822	SSWQKAFLPFOCIC-NUGSKGIGSA-N	451.829	3.414	50	40	JGGB	
Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1	409150827	DXOAIVUSADWRLI-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	409252357	DJHLAYOEFBAACK-IETDBYTCSA-N	464.444	3.088	50	40	JGGB	
Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc1Br	9833668	JBFOMWJJGHBDRT-UHFFFAOYSA-N	456.749	3.125	50	40	JGGB	
O=C(N/N=C/c1ccc(I)o1)c1ccc(I)cc1	10476130	IQRCGQYWXLCAIW-VIZOYTHASA-N	466.016	3.253	50	40	JGGB	
CC(C)C(=O)NNC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C(C)(C)C)CC4	12640850	OYEAOZUFGRMFMZ-LBPRGKRZSA-N	460.629	3.386	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)cc1	12833740	ZORMWOBWBZWJTR-GFCCVEGCSA-N	482.591	3.026	50	40	JGGB	
COc1cc(C[C@H]2CC(C(=O)N/N=C/c3ccccc3C(F)(F)F)=NO2)c(OC)c2c1OCO2	15085913	LUEJSNKYAKLESR-KSUYQGFWSA-N	479.411	3.289	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1	20047775	FPHYRVBULNFAQT-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1	108993286	XIFJKNNMDMDZMR-MYYYXRDXSA-N	462.462	3.314	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1	408922596	CNUIMFJEJFRFQS-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C)cc2)cc1	408922682	QOEGWIFUYPLSSW-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3cc4cc(C)ccc4nc3O)c(C)c(C#N)c2=O)cc1	409056105	MJECLPZPNDXRRQ-MUXKCCDJSA-N	482.500	3.137	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)NCCCc1ccccc1	409251181	TXXYSRYPQUAPIK-BOPFTXTBSA-N	490.297	3.411	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1OC	9305851	IFIWBHYXMDFCRL-NLTKLDOMSA-N	461.518	3.447	50	40	JGGB	
Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1	9381870	QGBRHVAHJOYVEL-HZPDHXFCSA-N	474.608	3.468	50	40	JGGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21	13567681	PTZXVCCDBVUZMV-AREMUKBSSA-N	456.452	3.404	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Br	20209168	XBXJYFDQNIDGHL-KEBDBYFISA-N	456.362	3.390	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(=O)c1C#N	28617591	DXNBKTBZMZQZIB-QDTIIGTASA-N	459.550	3.349	50	40	JGGB	
COc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(OC)c1	30955059	JKNRILLTERWGPT-SRGJNHRASA-N	473.485	3.354	50	40	JGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4nc(-c5cccc([N+](=O)[O-])c5)cs4)[C@@H]13)[C@H]2Br	408687239	TYQBCRLANQLJJV-DKJTXKKOSA-N	464.297	3.228	50	40	JGGB	
C[C@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N(c1ccccc1)S(C)(=O)=O	408907832	SXUASSSNSLEEOI-QQHUYRGFSA-N	456.480	3.160	50	40	JGGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	9262050	AZHOMJNZSYYVLL-WPWMEQJKSA-N	461.566	3.110	50	40	JGGB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2)C1	9561978	BSCDGGYJFWXRDB-IAGOWNOFSA-N	494.573	3.352	50	40	JGGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1	12571704	WWSFGTDTWBILBU-BRJLIKDPSA-N	489.447	3.438	50	40	JGGB	
O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNc1cccc(C(F)(F)F)c1	12941185	HFJBHBCJECSUEF-UHFFFAOYSA-N	487.500	3.459	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1cccc(Br)c1	19954288	SZRKBWUHNBPTHA-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O	408782568	KGQCDDGMEBXNQE-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1OC	409113471	IJDYGLBPNNKEGI-BUVRLJJBSA-N	471.535	3.028	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	859704	KUZYQTGHKUASEX-UFWORHAWSA-N	458.106	3.455	50	40	JGGB	
O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc([N+](=O)[O-])c1	880805	KKKXRYKSZBNPBO-QGMBQPNBSA-N	459.627	3.382	50	40	JGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1	3116311	WKLFUJILKMPYKF-YDZHTSKRSA-N	464.390	3.251	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1	20499695	UDXYOOVBYWEDKR-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)NNC(=O)c1ccc(Cl)cc1	408672826	XFZGMALOICWSGR-GFCCVEGCSA-N	484.723	3.004	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c(OC)c1	408907469	OUEJYDFSHQPAPL-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccc(F)cc2)cc1OC	409121838	WXCXECFPPDCHQS-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	409264434	FRUHRRNYWXSRCS-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(N)=O	1416760	VBWYNJLPTLJQSK-AUEPDCJTSA-N	460.284	3.222	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Cl	2188351	WSEUJRKRDOEWSD-ZYNFKGNASA-N	498.391	3.207	50	40	JGGB	
CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	3284335	FGXWIGFGUYMEFK-FQEVSTJZSA-N	488.953	3.028	50	40	JGGB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(N)=O)c3ccccc32)cc1	9075606	JYTQCFBDNVXBDG-XJNXIJTASA-N	480.524	3.290	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1	10737038	REZVESDVGKKXMM-UHFFFAOYSA-N	492.557	3.453	50	40	JGGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	58882108	FQZURUUYKFUFPH-BWJYWGHISA-N	458.518	3.340	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2)Cc2ccccc2)cc1C	107674749	BNJKHTHLQLOJIC-XYGWBWBKSA-N	451.548	3.345	50	40	JGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1	408606150	OVFSKGOOFSULTR-SFHVURJKSA-N	450.476	3.291	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1Cl	408659685	OZMQLVCBHJTIKP-SNHGZMDHSA-N	454.910	3.189	50	40	JGGB	
CC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)CC1	408680779	GOEHBLHDTZAGRC-UPGMHYFXSA-N	461.356	3.068	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1	408779467	XDPAABXDZCGCQV-LSFURLLWSA-N	478.836	3.183	50	40	JGGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c1	409164880	PCTVEWRJEQUDNO-BRJLIKDPSA-N	450.451	3.117	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	409164944	QAIPKAOTCPWJFS-RDRPBHBLSA-N	472.545	3.076	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)cc1	409172596	DICGJNYUHGAWOO-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(C)ccc1C	409260511	RIZYGINUUCKIAJ-CCVNUDIWSA-N	492.532	3.079	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1OC	409314195	RWBGNNFEIYIETC-FBHDLOMBSA-N	451.273	3.084	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC	409336212	QZJPDLWDQNPGQS-YSMPRRRNSA-N	463.490	3.494	50	40	JGGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)c(C)c1	2201373	ZHEPVDMEBOEHPY-PTNGSMBKSA-N	452.565	3.366	50	40	JGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(I)cc2)c(OC)c1	14923496	CLTCJIHEZIXBKG-WSDLNYQXSA-N	481.290	3.443	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16691415	KIUQFUBVQDNSCN-LGUFXXKBSA-N	465.575	3.469	50	40	JGGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	16693245	ZVWWOCPIOQSPJN-XMHGGMMESA-N	458.518	3.444	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	20207355	MLIAZROANKGENQ-BUVRLJJBSA-N	482.518	3.090	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(Cl)cc1	408661728	HHEHWCMDYMRLHD-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OC)c1	409157508	JILLLOYKKUFTQE-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	409164134	CXEMRTKRLACUMB-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c1	2398022	SOOJIRDSEDDLDK-SRZZPIQSSA-N	460.357	3.496	50	40	JGGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O	3144524	GGOMJFKYMQDXTC-XFVPJXQESA-N	458.518	3.388	50	40	JGGB	
Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1CCCl	10104458	DQWXPUJOKWHJED-UHFFFAOYSA-N	454.745	3.360	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1	408655682	LLDUJEUEOKREQT-PZBISTMVSA-N	499.361	3.299	50	40	JGGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC	408780882	MPWLUOWOVQMQRU-AUWJEWJLSA-N	486.306	3.063	50	40	JGGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)cc1	409060177	ZICXAFRZGYBZSV-GATIEOLUSA-N	456.289	3.492	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2Cl)cc1	409151444	GWQVGXWGOVCKKR-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc(F)c1	409244564	FODAAILUBMTYRX-ACAGNQJTSA-N	495.248	3.120	50	40	JGGB	
Cn1c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)nc2ccccc21	3410863	YNDVCNQKDQFTCS-UHFFFAOYSA-N	497.964	3.031	50	40	JGGB	
CCOC(=O)C(CCCCP(=O)(c1ccccc1)c1ccccc1)(NC(C)=O)C(=O)OCC	17596006	BHXHRVBSHHWVQX-UHFFFAOYSA-N	473.506	3.172	50	40	JGGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1I	59334215	XOUZKDOCYAYPQU-YHYXMXQVSA-N	496.086	3.290	50	40	JGGB	
O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/[C@H]1C=CC(N=C=S)=C[C@H]1S(=O)(=O)O	112982163	MWJNUFGPCDQGAP-HEBLMAARSA-N	456.548	3.110	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Cl)cc1	408663240	HENJSXKAQMAVEW-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2cccc(Cl)c2)cc1	409058028	RPYXHFHDCQNPAR-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1	409265090	MOWUCEUGHBXBPB-WUERFNLMSA-N	468.554	3.003	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1OC	1241916	ZSQJUMITPBAVLZ-UHFFFAOYSA-N	470.478	3.164	50	40	JGGB	biogenic
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)c1	2255056	JBRRRADAZNOWJA-HSZRJFAPSA-N	473.485	3.169	50	40	JGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(I)cc2)cc1	3265146	OMXKHBSEVWVNSF-GXDHUFHOSA-N	462.243	3.389	50	40	JGGB	
COc1cc(/C(C)=N/NC(=O)CSc2nncn2C)ccc1OC(=O)c1ccc(Cl)cc1	9109103	SIQRFZLLPURLQX-ZMOGYAJESA-N	473.942	3.329	50	40	JGGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N[C@H]1CCS(=O)(=O)C1	9223184	ABSBSHIPKPFBIW-SQWSFHKJSA-N	472.526	3.496	50	40	JGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4OC)c(=O)c32)c1	9971044	DFKRKHMCYINSOE-QHCPKHFHSA-N	459.502	3.449	50	40	JGGB	
CCOC(=O)[C@@H]1[C@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	12859477	YCUPYGNYTAKIOU-JDTYTYDYSA-N	490.482	3.286	50	40	JGGB	
Cc1csc(SCc2c(C(=O)NNC(=O)C[C@@H]3CCS(=O)(=O)C3)oc3ccccc23)n1	69946260	ZAROIGGCTZABCW-ZDUSSCGKSA-N	479.605	3.076	50	40	JGGB	
Cc1cccc[n+]1[C@H]1[C@@H](c2ccc(Br)cc2)C(C#N)=C([C-](C#N)C#N)N[C@]1(O)C1CC1	100023489	BUIVVPFEMFIUSN-XWGVYQGASA-N	474.362	3.471	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1O	409117054	KLVOIVMLOHMZJP-WGOQTCKBSA-N	497.573	3.141	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2cncc(Br)c2)cc1I	1092653	GDFSOUBOJOAWIA-NGYBGAFCSA-N	460.069	3.221	50	40	JGGB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccccn1	1839169	CDBNSUGQKLHTSL-ZVHZXABRSA-N	459.491	3.480	50	40	JGGB	
Cc1ccc(C(=O)NN2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	8927561	CQTCDIXTMYKLJS-HKUYNNGSSA-N	460.889	3.051	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1	9232908	QFIFYHNIGNOTFM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccc(C#N)cc1	13788405	SALNSQHYLQSZPS-BRJLIKDPSA-N	493.940	3.204	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1	16691590	LEDAFXROIDHGFO-KIQCMGJBSA-N	457.474	3.409	50	40	JGGB	
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]4I)c([N+](=O)[O-])c1	102946453	ONQRMRLNRDSIAF-KOGAMIRISA-N	466.235	3.462	50	40	JGGB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)CC(C)C)cc1	112296120	ORHFSRYQCAURSF-QNGOZBTKSA-N	451.483	3.295	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408784576	VCRMTUHNCXHUGA-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCC(=O)O	409022672	OWRQXLYNWBGLCT-GATIEOLUSA-N	457.870	3.279	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1	409027587	MEBXFTHKWQLDMZ-BUVRLJJBSA-N	482.518	3.090	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)cc1Cl	409154585	PCIISLWEGWMVRD-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OCC)c1	409171725	FYMPHIVTLROOPT-UVHMKAGCSA-N	488.972	3.349	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c1O	1088944	IULFUKBDXGFXPA-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2O)c1	13004776	RRVBRVHSVZIZAO-UHFFFAOYSA-N	473.938	3.336	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1	16215214	PCKXKXZXXFJJNA-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
O=S(=O)(CBr)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1	16837509	TUVHHERORZPWIX-UHFFFAOYSA-N	463.350	3.061	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc(OC)c1OC	32109237	ITEDEJCSPVPBCA-NIHGUFKWSA-N	492.484	3.222	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409159572	RDFIHXFSMNEHCV-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	409184380	GJLVAGNRBWNFGH-WGOQTCKBSA-N	479.558	3.107	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1O	409361566	TVASNHFREAQEJD-ZVBGSRNCSA-N	457.243	3.097	50	40	JGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(Br)c1O	3027411	ZIEGBBCWTUGWTO-CNHKJKLMSA-N	473.077	3.355	50	40	JGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(N)=O)=C(C)N2)c(OC)c1	9335347	ZTOJJDGHNCTWHR-FQEVSTJZSA-N	470.576	3.318	50	40	JGGB	
COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12	9381918	IJEMUPWMBFSCEV-UHFFFAOYSA-N	490.607	3.491	50	40	JGGB	
COc1ccc2nc(Cl)c(/C=N/NC(=O)c3nn(-c4ccccc4)c(=O)c(C#N)c3C)cc2c1	9694754	UYDZXKJHSYTRJV-UVHMKAGCSA-N	472.892	3.387	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	30734391	SFHQOIUWQFIRFQ-LOQQIGKDSA-N	489.503	3.424	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)Nc1cccc(Cl)c1	58873487	LBJSHYJGJWHWGM-AFUMVMLFSA-N	456.930	3.257	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccco3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100774929	MYCWFHZIAKFKJN-JAHGVPKISA-N	463.527	3.427	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1	101222214	GIGGVSCJVXCAMW-DHNIJCFSSA-N	498.564	3.319	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)O	408678528	ZWVIWXPNYUQPMA-FSJBWODESA-N	476.327	3.285	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)cc1	408823870	GQSWQVVPUOTIAK-MYKKPKGFSA-N	485.953	3.440	50	40	JGGB	
C[C@H](C(=O)N/N=C/c1ccc(C(=O)O)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026119	GWTBLMSIQLKRKN-GZPJKGAFSA-N	481.530	3.482	50	40	JGGB	
CC(C)c1c(C(=O)N/N=C/c2cccc(OCc3c(F)cccc3Cl)c2)nnn1-c1nonc1N	2397633	CEXPFGIJHUDJCL-NSKAYECMSA-N	498.906	3.491	50	40	JGGB	
O=S(=O)(CBr)N(c1cc(Cl)cc(Cl)c1)S(=O)(=O)CBr	2555875	JBSLWRKLWFYJHA-UHFFFAOYSA-N	475.995	3.164	50	40	JGGB	
CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1ccccc1	3144143	DYDCYQGEEMQQDA-OAQYLSRUSA-N	458.518	3.217	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)ccc1OC(C)C	9305431	OJGQMTCBJRLPCG-UQQIOGDDSA-N	456.499	3.295	50	40	JGGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cccs2)c1	9507774	URZIUSWHZRKOPS-UHFFFAOYSA-N	479.967	3.310	50	40	JGGB	
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	12907899	XWHODHWQQFOBFO-UHFFFAOYSA-N	461.628	3.016	50	40	JGGB	
Cn1/c(=N\NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2ccccc21	103050273	RMSOEISBYDMKIJ-XMTYCTGGSA-N	456.527	3.079	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1	409015088	YNSKMXBKNHCSBJ-QFEZKATASA-N	478.461	3.150	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409247029	AUURNFDWRNNKEJ-FBBDWWHMSA-N	482.581	3.393	50	40	JGGB	
Cc1nn(Cc2ccc(C(=O)NNC(=O)c3cc4ccccc4oc3=O)cc2)c(C)c1Cl	649797	YMEXAAZFEMREHR-UHFFFAOYSA-N	450.882	3.383	50	40	JGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3	2743653	IODZQIWTUSCBMA-RPPGKUMJSA-N	460.563	3.290	50	40	JGGB	
C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1	8426822	SNCJHTAQRWUXQT-HYARGMPZSA-N	464.931	3.189	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	20212515	XYOSKYBAICCSAT-AWQFTUOYSA-N	459.311	3.126	50	40	JGGB	
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]4I)[C@H]23)c([N+](=O)[O-])c1	102972748	ONQRMRLNRDSIAF-ZIBOMAJTSA-N	466.235	3.462	50	40	JGGB	
COc1ccc(Cl)cc1-c1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1	408637993	PERFLYDHZJTYKV-UHFFFAOYSA-N	483.333	3.371	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccc(C)cc1	408921604	JLVYEVUQUXPEPV-WGOQTCKBSA-N	495.557	3.120	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408965183	UJDXBGSUWOBFLB-QGMBQPNBSA-N	451.176	3.415	50	40	JGGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2c(O)ccc3ccccc23)c(C)c(C#N)c1=O	409057363	LDOGVEZMFRDXIV-VYYCAZPPSA-N	453.458	3.044	50	40	JGGB	
COc1cccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)c1OC	409066152	HHXMHDNALODYLZ-NVJOKUIPSA-N	485.422	3.213	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1	409262160	FPEQKXHKEWVPBH-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC	409313631	QHLFSUKJZKRSBI-IWIPYMOSSA-N	470.503	3.244	50	40	JGGB	
CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1ccccc1	3144142	DYDCYQGEEMQQDA-NRFANRHFSA-N	458.518	3.217	50	40	JGGB	
C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1Cl	9659686	CMOAQVLCVLERAE-OAHLLOKOSA-N	464.909	3.172	50	40	JGGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	12525676	UOFSCQPBJRYTMS-NRFANRHFSA-N	460.515	3.456	50	40	JGGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21	13567748	FEQDRGFDKKFYRB-VWLOTQADSA-N	455.905	3.174	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)cc1	15841509	PIZOGAPEXRBJPF-UHFFFAOYSA-N	489.557	3.285	50	40	JGGB	
COc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I	408773429	RDSZFENDGPYVCI-WMZJFQQLSA-N	496.086	3.336	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(Cl)c1	408776399	NROPCDOQVUOYII-MFKUBSTISA-N	485.949	3.476	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)c(OC)c1	408829702	LUYLHCXUANNBDA-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OC	408869533	SMDJYAXWDYBTIR-RGVLZGJSSA-N	483.262	3.300	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc(OC)c1OC	409016662	RDGOWNNXDVIWHF-RXJBCPCZSA-N	485.581	3.389	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1	409153003	KMMCWRSGBBYLNA-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)CN4C(=O)c5ccccc5C4=O)cc1c32	2394240	GIXPXKQLJZXANT-UHFFFAOYSA-N	478.464	3.231	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	12579023	BTHFLJLVAHIBDB-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)NNC(=O)c1cccs1	12786620	ZAGVAJHQMNJFDB-UHFFFAOYSA-N	474.951	3.306	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c(C)c1	58918147	NDZSWOJJSIZBIQ-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br	408785205	ZRYHKPREGZNDRB-WCIBSUBMSA-N	460.122	3.195	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccc(F)c(Cl)c1	409165214	UWLGFVUWRFPSJP-CCVNUDIWSA-N	482.899	3.263	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1c(C)cccc1C	409249502	JKCXTAXJGNTFAT-WGFYCLKKSA-N	468.554	3.084	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1	409273336	XJBRKHCTEVFWKJ-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O	4773650	GBPZYMBDOBODNK-SFTDATJTSA-N	488.456	3.112	50	40	JGGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)c1	9305450	XKORJZDRXRPVEJ-WKULSOCRSA-N	456.502	3.091	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1[N+](=O)[O-]	20214023	UHUKEHYVIMCNGE-BUVRLJJBSA-N	498.517	3.312	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1cccc(F)c1	59247155	LUAKUMBMGAKOBC-YUMHPJSZSA-N	455.530	3.314	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	59515849	QTLMWOMDWXQVPQ-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1Cl	139047439	QJXUQDHYPFHACN-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1Cl	408661222	MFQYBGJDWWTMEM-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408759182	ZGTRWOTYVNQUKQ-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(C)c(C#N)c2=O)cc1Cl	409075545	WUZACYIGZUNAPS-MYKKPKGFSA-N	450.842	3.047	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1	409172298	BXWKJDZJSJRIOP-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1OC	924515	XGPKONJZGSXUKT-UHFFFAOYSA-N	496.593	3.416	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(C)(=O)=O	2174560	DQRSFNSFRNXMTL-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)cc1	2264919	ARDYBFSQMDNKCY-KBKYJPHKSA-N	486.414	3.081	50	40	JGGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3115522	OYGQIRXPKDEZOH-LGJNPRDNSA-N	480.864	3.348	50	40	JGGB	
CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	9042797	RDWAJLUZPBXSJL-JVCXMKTPSA-N	454.530	3.210	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	14165716	YWLBXWAELRVWTK-AFUMVMLFSA-N	469.494	3.178	50	40	JGGB	
CN(CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1	16187072	UAXSHROYYXSVKI-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3	16693816	BQPFIXZZXVQRRK-UCQKPKSFSA-N	488.503	3.332	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1O	19956149	ZQXVFTCRTYIXOM-AFUMVMLFSA-N	471.510	3.194	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O	20212189	KFHKGZUFWAHCFP-AFUMVMLFSA-N	451.548	3.172	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408607973	GDYDNULOKFQTMK-HDDDNDSPSA-N	450.322	3.318	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)c1	408830135	RHBDJUVDTKPFNR-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)c(C)c1	409150274	BDZAEKWBDOGSMS-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1	409261389	BHBQLRZFMIDMHE-WSDLNYQXSA-N	464.316	3.431	50	40	JGGB	
C=CCN(N=O)C(=O)N(CCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1	5811116	XPIGKGDGEODQOI-QHCPKHFHSA-N	465.554	3.379	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	6906901	FQRJUGCECRKWAQ-ZMOGYAJESA-N	464.434	3.090	50	40	JGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2I)c(C)c1	9059237	LBAJJSUMCHKMPS-UHFFFAOYSA-N	465.291	3.088	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)c1	14095437	GNYMKNBGOOJXRS-UHFFFAOYSA-N	492.001	3.123	50	40	JGGB	
C#CCOc1ccc(C=NNC(=O)N/N=C/c2ccc(OCC#C)c(OCC)c2)cc1OCC	15944978	XUUYWDOUZUBHCM-BFJUWEKCSA-N	462.506	3.175	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OCC	58924937	BNWGNYPNJQTCGT-OEAKJJBVSA-N	467.975	3.444	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc(O)c1)Cc1ccccc1	108985992	XSACLMGMFZSSPM-MYYYXRDXSA-N	467.547	3.050	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc2ccccc2c1	408740614	HLMQKPIJAGJEDX-AMAFCZHPSA-N	450.907	3.273	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409165064	RWXOSBYSZZMTRQ-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409177540	BSUVJXZSCZGFQJ-UFWORHAWSA-N	458.643	3.415	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C	409265771	OXJCRUYUNFILSO-KIBLKLHPSA-N	493.347	3.057	50	40	JGGB	
O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1	3167971	XQWIXGSJROBAPJ-PWYGXMRTSA-N	478.530	3.483	50	40	JGGB	
Cc1cc(OCCCC(=O)NNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1Cl	8921131	IRSVZFLNPXIFCN-UHFFFAOYSA-N	462.959	3.112	50	40	JGGB	
CC(C)(C)OC(=O)N[C@H](CC1=CN[C@H]2C=CC=C[C@H]12)C(=O)N/N=C/c1coc2ccccc2c1=O	9290934	ORARIHUMNRZCOK-HHAPBXHMSA-N	476.533	3.124	50	40	JGGB	
CC(C)(C)[C@@H]1CCc2c(sc3nc(CN4CCN(C(=O)CCCl)CC4)[nH]c(=O)c23)C1	13513527	GMAWPUYOOZEBCT-CQSZACIVSA-N	451.036	3.409	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	408749651	RTRJCOVLERBFCN-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1	409262741	JSXKCRSTPWBNET-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1	17397100	IIDSYIYOJIFVKF-UHFFFAOYSA-N	459.911	3.224	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)cc2)Cc2ccccc2)cc1C	109738839	HHXGEYHOMMQEOP-MYYYXRDXSA-N	467.547	3.050	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408611920	SGZWLESYCOLYKM-HDDDNDSPSA-N	494.773	3.427	50	40	JGGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409158318	RAHDBRXTTDWXPH-KBKYJPHKSA-N	469.881	3.252	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(N)=O	409313110	BLQDLGGJDOMXFE-MBTHVWNTSA-N	477.517	3.301	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1I	674462	FYOQGLLMVOZKMQ-UHFFFAOYSA-N	489.107	3.446	50	40	JGGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	2661050	UYRIFWVUGRMNSM-UHFFFAOYSA-N	473.938	3.249	50	40	JGGB	
COC(=O)NN(C(=O)OC)[C@]12CCC[C@@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2ccccc12	5551338	PRQDCKPYLYZROT-SBUREZEXSA-N	486.481	3.497	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1O	19926318	IVXQTISCEQPNBU-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1Cl	58881802	IVEKEVZVOWZTPY-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	58882048	XTRNEBYTICRVHL-WGOQTCKBSA-N	466.538	3.002	50	40	JGGB	
O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@H](Cl)[C@H]1Cl)c1ccccc1	97957689	SQBRMEYLNQYYAP-IUCZZLLSSA-N	457.360	3.431	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OCC(=O)NCc1ccccc1	408612893	XHZTXYZJNXTXOC-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408995856	BPWZYJXZDFWUHK-CFRMEGHHSA-N	476.917	3.008	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1F	409155248	CQLCWTRFFSBRRW-KKMKTNMSSA-N	492.935	3.118	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OCC)c1	409170120	UDBCFYMKCBNJJE-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1089210	JILYMLFDJUPJNW-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)[C@H](C)NC(=O)COc3ccccc3)c2C)cc1	32114439	OROGSABHCNELDP-IHQKUFHXSA-N	490.560	3.305	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1)c1ccccc1	408823876	FSJZSQICHBMUAV-QRKUKRBDSA-N	464.566	3.232	50	40	JGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1	409026127	GZWDQPBHWVLSIN-AFUMVMLFSA-N	465.531	3.454	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccc(Cl)cc1Cl	409264118	JZOXFZRQOGOZJI-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
Cc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	19949826	ADZQYORTWUNHBG-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)NNC(=O)c1ccccc1Cl	408667733	KFSGHHLPGTVISM-UHFFFAOYSA-N	465.937	3.347	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1	408770801	ABFWZOIDJSBMPF-OEAKJJBVSA-N	450.992	3.411	50	40	JGGB	
O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(-n2cccc2)c1	408963454	ZNRYIGMRPJTZQC-PKAZHMFMSA-N	455.518	3.055	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1	409167681	JGURWSMIIUNWOZ-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	1313159	ZJTGAWMXWZCBPC-NCYKPQTJSA-N	474.860	3.267	50	40	JGGB	
NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl	9508289	QKDUUFODKXRBKT-AWEZNQCLSA-N	493.372	3.033	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccccc2)cc1OC	12629580	ARLBSRCFXQSUCO-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)COc1ccccc1C	15134662	CSAAUKWEUWQHKF-HYARGMPZSA-N	465.291	3.499	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)ccc1O	20060564	KFTDQKDGCHPQMH-PCLIKHOPSA-N	467.547	3.445	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	102265677	RCBPKFCYEJTFPL-QQRKTFAASA-N	499.789	3.387	50	40	JGGB	
COc1ccc2c(c1)/C(=N/NC(=O)c1ccc(NS(=O)(=O)c3cccs3)cc1)C(O)=N2	103048138	ZOUDXMYLOJDBJL-UHFFFAOYSA-N	456.505	3.293	50	40	JGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I	408745868	AMZDOKCNYAKBBB-YVLHZVERSA-N	490.297	3.456	50	40	JGGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)cc1OC	408972686	UNUHTSXMQNMIAJ-YZSQISJMSA-N	481.574	3.408	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C	409158035	WZSJZVDPBHUXME-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1	409162018	CADCOSDSXUIWTA-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409170045	SSMCBXQIMFJHML-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2cn(CCOc3ccccc3)c3ccccc23)c(=O)c1C#N	409216369	HQXAUJZAIRJASX-UHBFCERESA-N	497.555	3.359	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c2ccccc21	409343158	GFSGBMBGJFOHRY-XTCLZLMSSA-N	482.949	3.032	50	40	JGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC(=O)N1CCOCC1	709391	QGIWACQHZWRXDF-SFHVURJKSA-N	467.526	3.155	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccc1[N+](=O)[O-]	993780	NREOMNCNWPGBCR-GIDUJCDVSA-N	464.013	3.319	50	40	JGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1	12608470	GDRDKNBEWCBXTL-UHFFFAOYSA-N	499.662	3.273	50	40	JGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc(I)cc1	12628903	BDVHWVZZDGLMAK-WSDLNYQXSA-N	479.274	3.197	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C)c(Cl)c2)cc1	20207161	HBUPPTRFFMQFKG-UHFFFAOYSA-N	463.003	3.350	50	40	JGGB	
CN1CCN(C(=O)[C@@]23CC[C@](C(Br)Br)([C@H]2Br)C3(C)C)CC1	100868628	GRVPVNGAKKAGRU-VCTAVGKDSA-N	487.074	3.446	50	40	JGGB	
COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	408741603	KFUYNPHOFBTPEL-ZSOIEALJSA-N	492.269	3.397	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCC#N	408746414	DHWHBZZWEVRAOR-WSDLNYQXSA-N	479.274	3.365	50	40	JGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1	409318117	TUQAFEAZWZRRFE-PMACEKPBSA-N	466.515	3.023	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1OCC	409326992	PQVYMEZPBSBZSN-KSEXSDGBSA-N	450.875	3.373	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1Br	1266448	ZELGRMMRYOIXBG-IFXJQAMLSA-N	472.339	3.325	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2	2710084	GUNKMUUZHRFXID-NRFANRHFSA-N	452.555	3.124	50	40	JGGB	
Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1	17010419	PZOSAFQAHVHONE-IYBDPMFKSA-N	474.608	3.468	50	40	JGGB	
COc1ccc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)nc12	17026791	WVHLMQQNPFCYAF-GASCZTMLSA-N	490.607	3.168	50	40	JGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)c(C(=O)OCC)c1C	33396992	WGAZULWVXKXLMY-RGEXLXHISA-N	452.488	3.451	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1O	408837228	ALLKYYRSHALTHH-SSDVNMTOSA-N	498.399	3.203	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2)c2ccccc2)cc1	408907450	OHBPHAQQXDPBKU-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)CC1	408972090	RTPCSUAUWNINNV-MTDXEUNCSA-N	473.577	3.210	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1Cl	409074720	VAWLKNPQULXKHV-MYKKPKGFSA-N	450.842	3.047	50	40	JGGB	
CCOc1c(I)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409140231	GSNLHLIUIQVNJC-KRWDZBQOSA-N	479.318	3.428	50	40	JGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1	951126	ZAXMNRLKZKGALO-KEWOFRHOSA-N	476.485	3.391	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(C)cc2)cc1OC	2176130	IBECMYCKDXUUSJ-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Br)cc2)c1CSc1ccccc1	2220944	DLNVUICGSDEHER-LSHDLFTRSA-N	499.354	3.051	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408767779	OAZFPXVMPTXYKO-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1C	408837609	JTWFUIKCOCTHOA-QNGOZBTKSA-N	470.529	3.417	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)cc1Cl	408863069	KQELVFOLDHJQQY-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408922723	RFYFZLBYPQKQSV-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1	409305906	XQMXHIKVLIOKMN-SFTDATJTSA-N	480.542	3.332	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3114212	SZOLWDTVXGSHGT-VULFUBBASA-N	474.429	3.223	50	40	JGGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc(N(CC)CC)cc1	3312293	XDHLRKYTNMDXFD-UHFFFAOYSA-N	470.389	3.317	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	9891951	UQRKTIRHBQXABZ-WPWMEQJKSA-N	482.537	3.384	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(F)cc2)cc1	19956175	HOZGGRFBSWHMAV-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)c2ccccc2)cc1	20061022	GRGDQDFBCCYCLC-YZSQISJMSA-N	495.557	3.218	50	40	JGGB	
COc1cc(/C=N\NC(=O)CNc2ccccc2C)cc(I)c1OC	30765788	NIZONBZDMSQSQW-FBHDLOMBSA-N	453.280	3.179	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccccc2)cc1	33371847	VQAMAXICTQINTQ-PCLIKHOPSA-N	451.548	3.345	50	40	JGGB	
CN(CC(=O)N/N=C\c1cc(Br)ccc1O)S(=O)(=O)c1ccc2ccccc2c1	39986727	HQUCGFKTQSRPDR-UUYOSTAYSA-N	476.352	3.079	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	408926408	XVBKGWKBNPVRHX-OEAKJJBVSA-N	482.474	3.085	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1	409260414	PZIOLMNCGWJHRG-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	19951213	KAVULIFFTKNSCX-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cccc1[N+](=O)[O-]	28215595	HXUOGNTXEVUDKD-JVWAILMASA-N	460.490	3.405	50	40	JGGB	
C/C(=N\OCC(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C)c1ccc2c(c1)OCO2	96893569	VGVXNAYCRNHCKK-KBCMITFWSA-N	465.487	3.245	50	40	JGGB	
COc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)c1	408683954	MOAXTBXAGXWGHP-PJBUMPDVSA-N	485.334	3.457	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1	408768161	UKENFOMWXCJNCQ-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(N)=O	409218541	FTDKPQJNETUTCE-AWNIVKPZSA-N	489.282	3.166	50	40	JGGB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8820384	OPGSBHVTBVKRTR-GUSDSWBTSA-N	485.503	3.404	50	40	JGGB	
Cc1cccc(C(=O)NN2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	9591543	IQFBYABLAVYBCA-HKUYNNGSSA-N	460.889	3.051	50	40	JGGB	
COc1ccccc1C/C(C)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1	13805133	JUPHFLXVJKTIOS-MYYYXRDXSA-N	492.565	3.190	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	16136893	PANZHZNMNSTRRM-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	59490195	SQVNJFWQKVNQJF-CVKSISIWSA-N	483.521	3.251	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(I)c1O	106128955	OFALAFXOUHYNEM-KEBDBYFISA-N	467.263	3.118	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408781338	BPNIRYRUKLSCEN-PCLIKHOPSA-N	467.547	3.445	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC	409019008	VDLYJJLOHACLGY-KXQYEYADSA-N	491.972	3.426	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409155448	RDISARYNCIQOSB-LUOAPIJWSA-N	482.846	3.129	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(OC)cc2)cc1	409158555	YIAMOUNMJILNCR-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OCC)c1	409175602	SSBBJYCLLRSNOX-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1)Nc1ccccc1	409270035	NWLQHOCIXNQFAL-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)ccc1Cl	2417186	SZFHLSLZRYYPFZ-DTQAZKPQSA-N	450.882	3.214	50	40	JGGB	
O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)N/N=C/c1ccccc1O	2689581	POGADUOWKOVYBY-UVHMKAGCSA-N	491.345	3.489	50	40	JGGB	
O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	13018541	BHSZNNRVYYCIIP-UHFFFAOYSA-N	489.495	3.051	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)cc1	16162397	ZJIOZUITAUBGSM-UHFFFAOYSA-N	476.558	3.225	50	40	JGGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	58882104	FQZURUUYKFUFPH-FQNOVECQSA-N	458.518	3.340	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1	59247082	MFQMTIGONPVEDN-OYKKKHCWSA-N	476.371	3.209	50	40	JGGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1Br	59435830	QOCCIVZQEVUELM-FBCYGCLPSA-N	469.089	3.029	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O	59435855	KPBSTXUSTNZBND-ZVHZXABRSA-N	457.939	3.387	50	40	JGGB	
COc1cc(C(=O)Nc2ccccc2[C@@H](NCC(=O)NN)c2ccc(Cl)cc2)cc(OC)c1OC	95946407	HVNDJQFPFRNLLL-QHCPKHFHSA-N	498.967	3.287	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)O	408533555	SYFMBWBFJLTDSK-ZNLRHDTNSA-N	459.808	3.393	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408612347	VBXQNJHZJZPQLK-XMQIJXBMSA-N	450.322	3.318	50	40	JGGB	
COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	408747643	QVVQAGYRAKQDOE-AUWJEWJLSA-N	463.231	3.431	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2OCc2ccccc2)c1	39986660	IUUQOADPCOCDPE-QQXSKIMKSA-N	497.573	3.054	50	40	JGGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	408755521	QOXSPWZCGIWTAM-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)O	408905385	YGJZKDTXYRAPQZ-ZBKNUEDVSA-N	487.225	3.058	50	40	JGGB	
COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409014994	RDRLWACSAQNQHU-DJKKODMXSA-N	469.235	3.257	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409247189	BPUAPIWTWBHGCO-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2	2710086	GUNKMUUZHRFXID-OAQYLSRUSA-N	452.555	3.124	50	40	JGGB	
O=C(NNC(=O)c1cn2cc(I)ccc2n1)c1ccc(C(F)(F)F)cc1	8733711	VESCVHIZHMQSDC-UHFFFAOYSA-N	474.180	3.033	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CCN2CCCC[C@H]2c2cccnc2)cc1Cn1cc([N+](=O)[O-])cn1	8973864	GCXCXEPIEQZRDE-HEMYWOPUSA-N	491.552	3.311	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2CC=CCC2)c1CSc1ccc(Cl)cc1	9497252	PMCSTNPPGMYAIE-PGCIDKTFSA-N	458.935	3.250	50	40	JGGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cccs1)c1ccc(F)cc1	9883309	OSXGJLREZLIIMT-IBGZPJMESA-N	450.495	3.171	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1)NC[C@@H]1CCCO1	28213753	YXDPUICEXGJWCM-YGFNIOOWSA-N	475.998	3.398	50	40	JGGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1	408729547	CIILGESZBNJYHX-VXLYETTFSA-N	454.350	3.218	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1	408746732	GIGNUIQNNQARFT-SRZZPIQSSA-N	482.274	3.006	50	40	JGGB	
COc1ccc(OC)c(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)c1	409066966	ILFUNEAOIBSHAE-ZRGSRPPYSA-N	465.897	3.156	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1cccc(Cl)c1	409174544	NIPKMSXDUDTSSA-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1OC	9010531	MNAUUKASRBYXPZ-FQEVSTJZSA-N	494.504	3.346	50	40	JGGB	
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21	9090705	MRVWHDCQCPGLNG-LCXHPMGTSA-N	463.365	3.487	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C	9329215	AMPOMGGYBZUMAJ-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\C(=O)Nc2c(C)cccc21	14922944	YZFKHNQTMMCMBA-UHFFFAOYSA-N	497.143	3.380	50	40	JGGB	
CCOc1cc(C(=O)NNC(=O)c2cncc(Br)c2)cc(OCC)c1OCC	28604801	XMFDVONMSLJBNR-UHFFFAOYSA-N	452.305	3.115	50	40	JGGB	
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1	31820831	RZQVEWVYSIQVGH-QFIPXVFZSA-N	459.531	3.120	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1	59959788	ACDQHACHRDBKKR-IUUQDGFPSA-N	492.963	3.363	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)c1ccccc1	59960065	SGNVPGBJPSOFPJ-VSWHYLHOSA-N	462.481	3.171	50	40	JGGB	
O=C(N[C@@H](C(=O)NN=Cc1c[nH]c2ccccc12)c1nnc(O)c2ccccc12)c1ccccc1	252678342	FDJHOPQTBYUPKU-HSZRJFAPSA-N	464.485	3.438	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	408667438	VNYFJZOEKZANBW-ZCLUNYJNSA-N	454.910	3.189	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(OC(=O)c2ccccc2)cc1	408688683	WOWWBRRLTPUQBH-VJQWSGFBSA-N	499.313	3.203	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2)cc1OC	408718375	VHHBADWEFMBULQ-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)cc(OC)c1OC	409062343	SHEISSYUVVZBNO-PPDIBHTLSA-N	495.923	3.164	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OC	409366743	VMLCNNATTCDTCP-LSHDLFTRSA-N	471.270	3.400	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C/C=C/c3ccccc3)nnn2-c2nonc2N)cc1	2454351	QZGULCINLFKXKV-FKORGFIESA-N	460.523	3.262	50	40	JGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)cc1	9322278	XKNZSTKLUXPIAU-UHFFFAOYSA-N	494.617	3.395	50	40	JGGB	
N#CC(C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1)=C1Nc2ccccc2N1	10021827	ISKVJQRDCXXHET-UHFFFAOYSA-N	462.531	3.400	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1O	19956252	PSITZNJZVSRHNM-AFUMVMLFSA-N	471.510	3.194	50	40	JGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(C(=O)N5CCCCCC5)cc4)[C@@H]13)[C@H]2Br	408681277	HNJBTSFYFKPYSV-KSCVBYKOSA-N	461.356	3.212	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	409004190	BAUDNMPGHVGHPG-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1	8830183	DELJEAXSANCQRF-ZHRRBRCNSA-N	492.532	3.146	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	8989808	RPSBEWHXMXSCHJ-GYTCFKOFSA-N	459.418	3.424	50	40	JGGB	
O=C(NNC(=O)c1ccc(Br)s1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	9368866	CDCYUNOYWDCNHU-UHFFFAOYSA-N	486.413	3.150	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20210432	NUXUSQZVGYQRRS-OEAKJJBVSA-N	486.506	3.170	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1	13807545	GIGGVSCJVXCAMW-MQXJPVLKSA-N	498.564	3.319	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1Br	19861322	DDAPVYQPYUYCJC-ZVHZXABRSA-N	459.388	3.034	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	20210991	DXSNQLJYVYCSSG-ZMOGYAJESA-N	455.458	3.187	50	40	JGGB	
COc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-]	36235332	PSAYYSXWJZIEBS-LABBUYSVSA-N	488.456	3.253	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1OCC	408872248	BUPXMECPSPUCHW-LFVJCYFKSA-N	459.568	3.129	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2)cc1OC	409147109	VDLXMLNALKEHQM-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1	409254251	YMNQJYQABHXPNC-SVLFYUKMSA-N	464.444	3.088	50	40	JGGB	
CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)C1	8427249	PRJUFMOKOCPWFC-BFTFCADCSA-N	496.524	3.352	50	40	JGGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccc(O)cc1	9350176	YFBSQNWDTIPNKM-LFVJCYFKSA-N	498.956	3.428	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2OC)ccc1OCCC(C)C	12791174	WDKLNLCTYPHPBI-UHFFFAOYSA-N	452.511	3.389	50	40	JGGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1NC(C)=O	12893833	ODNPRAMMPDJWOF-UHFFFAOYSA-N	463.512	3.145	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1	58881089	LUBFNHSVFGWBLC-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(COc2ccccc2)o1	62620972	ISLKFBNBEVJAFF-UHFFFAOYSA-N	496.295	3.153	50	40	JGGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)Nc1ccccc1	408657158	GKGDXVRFDYUWDH-VTLVALNESA-N	487.339	3.452	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OC)c(OC)c1	408756449	RYSXJNPRKIQNIQ-KEBDBYFISA-N	454.264	3.389	50	40	JGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1C	408862530	ZXAJPQOIAODNNO-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408862639	LBWQBGGSVHTTRK-BTZNOAQDSA-N	486.775	3.112	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1Cl	409255910	JKMFYKFMGPWPME-SQAVSUBZSA-N	474.945	3.121	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1-c1ccccc1	2347209	RNNMIYQLNNRSPB-JFLMPSFJSA-N	480.488	3.242	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2C)c1	3084097	YMVXLJFUNIUMOM-WSDLNYQXSA-N	495.317	3.486	50	40	JGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(Br)c1	12289892	KESRWHPSMPVLPK-UONOGXRCSA-N	455.349	3.164	50	40	JGGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21	19926281	UJRFKXOKVHXUJY-UHFFFAOYSA-N	468.922	3.008	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1Cl	408644913	IWWMFAHHMGFDIS-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1cc(C(F)(F)F)ccc1Cl	408680809	GWMOGGDXFPFNLR-QJPVEVLHSA-N	496.663	3.412	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	408776746	QYJLOHJHWNVGSS-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OCC)c1	409155419	RCMVNUAVBNPPLJ-JVWAILMASA-N	468.554	3.032	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(Br)cc2)cc1	409183759	FYWSOVAZMDPDLX-ZVHZXABRSA-N	487.379	3.498	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	1313686	YBWBKNWQBNGMGI-MHTWAQMVSA-N	474.860	3.267	50	40	JGGB	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)C(C#N)=C3Nc4ccccc4N3)CC2)cc1	13039811	MODSYFMKYLXWBZ-GOSISDBHSA-N	479.606	3.348	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3F)o2)c1	19172951	KLPXJVCNZDZMFK-UHFFFAOYSA-N	459.499	3.191	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2)c1	19951462	CIDBGZNTDMRTLB-KOEQRZSOSA-N	483.546	3.145	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)ccc1O	408921019	BGPJRPTWSOSOFH-YSURURNPSA-N	493.891	3.379	50	40	JGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409013739	NWGTUPRZBFEZQI-JJFYIABZSA-N	453.282	3.267	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1	409023396	UKTSICLZQQXKCC-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1	409164497	JJYBQPDYERZINZ-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	409272014	XQRQZKGDYVFFPY-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O	2422878	PAVYSQDAOGXUSY-WYMLVPIESA-N	451.280	3.458	50	40	JGGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1)N/N=C/c1ccc([N+](=O)[O-])o1	8781125	NUIVUCFCZIVLIF-ZIOPAAQOSA-N	462.419	3.020	50	40	JGGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	9845938	FGVZQFBCOCAIFR-MFKUBSTISA-N	463.515	3.480	50	40	JGGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)NCCc1ccccc1	408830464	OIKUWDCDRVEFEN-AQTBWJFISA-N	476.920	3.454	50	40	JGGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	408849023	XRLUPVMSVYOFKC-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1	409009656	BBIJWSMZWUUNHK-WPWMEQJKSA-N	461.518	3.240	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2OC)cc1	409024232	CAHIZYXNOWVWAA-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	409144923	QOKVGRQIAQEHFJ-CXLFEFAPSA-N	455.580	3.300	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C#N)[C@H]1c1c(F)cccc1Cl	705615	DDCHIUBHBOEBBX-PNWYBZRESA-N	487.318	3.446	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C#N)[C@@H]1c1c(F)cccc1Cl	705617	DDCHIUBHBOEBBX-CTUYBLSSSA-N	487.318	3.446	50	40	JGGB	
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=S)NCc2ccccc2)c1=O	2506047	XUQDXPIWJAUZBJ-UHFFFAOYSA-N	494.580	3.144	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O	8820458	FBJJIMDHDJYOOC-YKYHQJSKSA-N	453.545	3.001	50	40	JGGB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)O1	14907485	NKLHRXFIFRQHHT-ZIAGYGMSSA-N	457.474	3.260	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)CC2)cc1	35447302	WYQKWOMKTCUGMH-ZXVVBBHZSA-N	476.602	3.119	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCC(=O)O	408966819	NPTPKMLSRZUVQH-NUGSKGIGSA-N	464.247	3.086	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1088986	GLUXMEUBKSDQCR-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	16491043	BDWPANJZAZKVRY-WGOQTCKBSA-N	460.515	3.286	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1	20210705	XGECMZCADPGKGL-ZMOGYAJESA-N	490.969	3.212	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3c(=O)n2CCN(C(C)C)C(C)C)cc1	21180385	HSYCHOOPGKWORA-UHFFFAOYSA-N	495.649	3.377	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	408779030	PFMVOVTXSXFETI-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408785382	WVENHVRHCVOJTI-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	408789411	PXVLCXQGBLFMMK-OQLLNIDSSA-N	473.279	3.333	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1	408823462	DJQXECRLWKUDLG-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	408842041	HZHITCMXNPKDHM-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)c1	408862587	GRJPPIAAQPMSCE-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(C)cc2)cc1	408926970	WZYQQEULQCBCKB-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1	409248058	BQRBUTAXJYWERM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	409253010	VOXPHTVVEHZYFG-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccncc1	8820542	GIHCVFNKTPJDNL-PZLZUMHWSA-N	452.561	3.080	50	40	JGGB	
O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NNC(=O)c1ccco1	9442326	PRJQELNANVOPAW-UHFFFAOYSA-N	467.425	3.103	50	40	JGGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc4ccccc4c3)nnn2-c2nonc2N)c1	9498207	HXWVQZOVZNFNBT-VULFUBBASA-N	468.477	3.215	50	40	JGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1	15948492	MIEDEQXHKPOPBH-SFHVURJKSA-N	494.013	3.170	50	40	JGGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(Br)cc1	19955443	KCEYYSFLPSUTJA-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1	409161327	SXGFKPWOTMYLNP-RPPGKUMJSA-N	458.946	3.197	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)ccc1OC	409318542	WSKUANMENRITIL-JMIUGGIZSA-N	470.263	3.177	50	40	JGGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)Cc3ccccc3)nnc2-c2ccccc2O)cc1	1223784	JLISOVYLKUOMCF-UHFFFAOYSA-N	473.558	3.431	50	40	JGGB	
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	12289753	LXKQQXPEYFDQDF-OUKQBFOZSA-N	450.545	3.349	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)cc2)cc1	19956180	KCUWVWRJWRAXDM-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)c1	20208214	OEIRSWHLSJXTBX-WSDLNYQXSA-N	481.416	3.048	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(Br)cc2)C(C)C)cc1	408756387	UULLWTDEMUOHRI-IUOVYFEOSA-N	452.374	3.211	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)ccc1O	6134806	YLMYUSNQERENSA-HTHFWCIQSA-N	452.511	3.326	50	40	JGGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1	8398988	BEUDENNQPJRBBY-UHFFFAOYSA-N	454.310	3.337	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	13068716	UYTMCABUHJNFQT-VBIXMBBUSA-N	496.516	3.142	50	40	JGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	18098125	HKWGHICAKOLXTP-SZPZYZBQSA-N	454.486	3.316	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059787	DHZZLHSFINFRJO-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1Cl	20213321	AKAZWCLPSGPVPQ-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	58961937	WWALRQQPFLDZBX-ZMOGYAJESA-N	489.985	3.067	50	40	JGGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O	408982452	XXHAVZJUXAWLPJ-QVWJKXSPSA-N	462.462	3.321	50	40	JGGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccccc3)o2)c1	409155517	QEWHFJIKXLXNRE-MZJWZYIUSA-N	463.490	3.157	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1	409156484	NWZOACFXBBNQFA-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC)c(OCC)c3)[C@@H]2C1	1298715	NIQAXCHQFHHGOT-KNQAVFIVSA-N	461.522	3.366	50	40	JGGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O	4773649	GBPZYMBDOBODNK-RTWAWAEBSA-N	488.456	3.112	50	40	JGGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	6079548	ONPALGKGPRUNMI-UFFVCSGVSA-N	477.955	3.193	50	40	JGGB	
CCCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc2C1=O	14244402	RPTJYFGUZMGMJR-UHFFFAOYSA-N	461.474	3.330	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c(OC)c1	19950562	APQCUQDDDUSIIL-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1O	19951562	GBLOAAQMCIIVJY-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)ccc2C)c1	29817084	PJDVDUJWHKVAFX-UHFFFAOYSA-N	491.367	3.270	50	40	JGGB	
COCCn1c(C)cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1C	33042623	RTNOBZZZHCFHFS-PCLIKHOPSA-N	484.578	3.325	50	40	JGGB	
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]4I)[C@H]23)c([N+](=O)[O-])c1	105590020	ONQRMRLNRDSIAF-MDYYPZLCSA-N	466.235	3.462	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cccc(Br)c2)cc1	408876362	OSASNRWCNHAGEW-ZVHZXABRSA-N	487.379	3.498	50	40	JGGB	
O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408966621	PQMZCRZVQJOTIP-DNTJNYDQSA-N	462.212	3.331	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1)NCc1ccccc1	409258518	XHEVVXVEJVMCSB-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2cn(CC(=O)O)c3ccccc23)ccc1I	1106419	GWNFOMZGWZNTTH-ZVBGSRNCSA-N	477.258	3.103	50	40	JGGB	
COc1ccc(Cc2nnc(SCC(=O)NNC(=O)c3ccco3)n2-c2ccccc2)cc1	1440416	UPXISHAQALZQJR-UHFFFAOYSA-N	463.519	3.013	50	40	JGGB	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	12794877	DCOYEMWITKSEKX-VWLOTQADSA-N	479.540	3.274	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2c1=O	17397734	OKNNRPLWXUVIGA-MRXNPFEDSA-N	495.967	3.054	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c2ccccc2c1=O	17398003	YMHKGGBGDBZTMM-UHFFFAOYSA-N	472.505	3.225	50	40	JGGB	
O=C(N/N=C(\c1ccccc1)c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	22572460	WZMROCUPBCVCMU-SHHOIMCASA-N	463.559	3.362	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC	23410597	KPCWKCSTJYLZAM-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
O=C(N/N=C/c1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408969272	KJTMYRAVPLOBSU-LPYMAVHISA-N	468.348	3.139	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)c1	409158832	YBAJLMYZYVDCFA-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	2239430	GKYPWYXQSSOKEC-NRFANRHFSA-N	493.545	3.183	50	40	JGGB	
C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@@H]4[C@H]3C[C@H]3[C@@H]4C/C(=N\NC(N)=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@]2(C)O)C1	70665750	UILOSARPFFZCST-JQZOIZOWSA-N	486.701	3.342	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1OC	408760559	AUIRXEZSPVZPCC-AWQFTUOYSA-N	496.330	3.427	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	408973082	YLYCOQTUTUEGOQ-HYARGMPZSA-N	480.384	3.009	50	40	JGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3C(=O)O)cc2)S(C)(=O)=O)cc1	409028757	RNXYZDJRBFNNAT-MFKUBSTISA-N	465.531	3.423	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1OC	409259981	IQFJPZNMKRNSKA-SRZZPIQSSA-N	453.280	3.261	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cccc(C)c1C	409264443	FSXCWFABYDWBRL-HSOLMKNUSA-N	468.554	3.084	50	40	JGGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21	9237250	CGUYVJTXMVWQGW-XMKGZYFRSA-N	457.442	3.054	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2coc3cc(C)c(C)cc23)c1	13019889	BDDMVJHLFBGYQA-UHFFFAOYSA-N	457.552	3.084	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20209285	YMHNEKHGYLIJRR-CJLVFECKSA-N	453.948	3.054	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2)cc1	59443951	UUHWAYCANMOSEY-XIEYBQDHSA-N	451.548	3.079	50	40	JGGB	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408849879	AEZBKTLLQLIKOT-YJCKXXIQSA-N	470.334	3.026	50	40	JGGB	
N#C/C(=C/c1ccc(O)c(I)c1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408905052	SLTRGXXSKGZKDM-WMGIFWIASA-N	455.259	3.205	50	40	JGGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1	2269845	LCRIOWXFJPXITQ-MZJWZYIUSA-N	465.506	3.144	50	40	JGGB	
O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	3083725	XLZHOTSFAPGONX-YBFXNURJSA-N	466.235	3.068	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1)Nc1ccccc1	9232861	PFDKNPVPILQIPY-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1	9291717	NHDZWRFFELZAGX-DHRITJCHSA-N	480.916	3.496	50	40	JGGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1	9883825	IYBFSDNRHRFPKY-UHFFFAOYSA-N	493.463	3.346	50	40	JGGB	
CCc1c(C)nc(SC/C(=N/NC(=O)c2cccc(O)c2)c2cccc([N+](=O)[O-])c2)[nH]c1=O	16161159	USEOSPUIVGEOMZ-PLRJNAJWSA-N	467.507	3.181	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1	19601779	HBJQLTZPSLJCLG-UHFFFAOYSA-N	485.496	3.389	50	40	JGGB	
CCCn1nc(C)c2c(C(=O)NNC(=S)NCc3ccccc3)cc(-c3cnn(C)c3C)nc21	22713028	XXHVWWFMOFZLMP-UHFFFAOYSA-N	476.610	3.168	50	40	JGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	58882038	ACYUFEPESVIWAC-LQKURTRISA-N	488.544	3.258	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	58883722	CBAHZLJOWNESAZ-YZSQISJMSA-N	479.558	3.077	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O	408784602	VRRSNAVIPDQEQD-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)cc1OC	409059236	LZCADEGJVPROQD-ZRGSRPPYSA-N	465.897	3.156	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2cccc(C)c2)cc1	409063210	IQVUBUZRQXEZNP-MFKUBSTISA-N	451.548	3.350	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	409156067	KGAGOFAJPXJHFU-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])ccc1O	1089375	HCWJIILYCPCGMB-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
CC[C@H](c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1Cc1ccccc1)N(C)C	9375592	JLMNNQFRUPXHSA-LJQANCHMSA-N	470.574	3.032	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1OC	34702332	BDQVIIXYNNFPCV-KEBDBYFISA-N	499.261	3.379	50	40	JGGB	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1	40161149	YJFCJTTZAVBWEG-PTNGSMBKSA-N	467.532	3.021	50	40	JGGB	
CCN1c2ccccc2C2=C([C@@H](c3cc(OC)c(OC)c(OC)c3)C(C#N)=C(N)O2)S1(=O)=O	57510549	VMHFYGRVWFHDHF-IBGZPJMESA-N	469.519	3.059	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(Cl)cc1	59246832	JPXCYYNDPOASGQ-MSXFZWOLSA-N	496.789	3.472	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=N\NC(=O)COc1cccc2cccnc12	96021761	AKSRWCZSQWXGCO-MYKKPKGFSA-N	472.295	3.078	50	40	JGGB	
O=C(CCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Br	96346282	FLQKCKPVLUAKGM-UHFFFAOYSA-N	458.312	3.067	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408750132	XOVIYIOGHQIHGI-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1	408773463	QRNIYNWPNPKZLG-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1OC	9305853	IFIWBHYXMDFCRL-AXNZHVIBSA-N	461.518	3.447	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816790	CYOUAZPKZJVSOS-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(=O)c1C#N	33304479	DXNBKTBZMZQZIB-XODNFHPESA-N	459.550	3.349	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	59435857	IPSBUKVTANSYFL-AFUMVMLFSA-N	487.965	3.395	50	40	JGGB	
COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408638299	QXWWLKHNFBECNJ-LPHOPBHVSA-N	461.873	3.389	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)c1	409159617	OESFBUQXHBNFPZ-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1	705571	DURQDOCVSOWMJW-LFVJCYFKSA-N	489.619	3.379	50	40	JGGB	
CC(C)C[C@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)NN=C1CCCC1	1434830	BDZZAEFTZQYJBZ-INIZCTEOSA-N	477.368	3.030	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	2645531	MHPGQNSPYZYZTC-UHFFFAOYSA-N	497.417	3.114	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	13400989	GANYABUZHXQRKF-RVDMUPIBSA-N	452.448	3.356	50	40	JGGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c2c1[C@@H](C)CC2=O	24974424	XDZXOSUUOLKGQG-INIZCTEOSA-N	496.541	3.092	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)Cc2ccccc2)cc1	59443939	PUDDLJFBBARHJG-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
CCCCn1c(=O)c(C(=O)N/N=C(/C)c2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21	100176001	IBMZCWMPFYTGLL-VYYCAZPPSA-N	460.490	3.208	50	40	JGGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408768136	CEVOLVVHHNBKSS-KSEXSDGBSA-N	495.344	3.154	50	40	JGGB	
CCOc1c(I)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409140232	GSNLHLIUIQVNJC-QGZVFWFLSA-N	479.318	3.428	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)N1CCCC1	409254067	HMOYEOGJKOQESH-BRJLIKDPSA-N	493.347	3.092	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1	2381337	MUYLYIJGRWBYIV-SRZZPIQSSA-N	460.357	3.496	50	40	JGGB	
CC(C)CCN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21	6170950	FKQBQYLQHHEDTK-RWEWTDSWSA-N	482.606	3.388	50	40	JGGB	
C/C(=N\NC(=O)c1c(O)c2ccccc2n(CCC(C)C)c1=O)c1c(O)c2ccccc2[nH]c1=O	100670110	SJFYDPUJCLLUMJ-RWPZCVJISA-N	474.517	3.454	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	409027291	FXJSTDJKAVASAO-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1	409186010	UZCDFCRGGBQVGG-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1CN1CCCCC1	2276623	ZWHGHNBUKYLNFP-RWPZCVJISA-N	495.547	3.289	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(OC)c1OC	13040914	QTVHTWJKCCYTJF-CVKSISIWSA-N	472.505	3.178	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	19950258	AMHVZLMANZUHLR-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1)S(=O)(=O)c1ccccc1	20461327	AFLOEBUBOQUSLE-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1	59101453	CJJKNNJCUHOQPP-CVKSISIWSA-N	463.490	3.380	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(Br)c1O	408974003	UGRBGABWNKTMNL-GEVRCRHISA-N	450.318	3.213	50	40	JGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)c2C)c1	409185523	ZVARXPNLRZZQSE-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccccc1F	409265993	XIPSIFWCMBNPPT-IETDBYTCSA-N	492.935	3.260	50	40	JGGB	
O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1	1282642	BWNRDSDJQHSNEH-VULFUBBASA-N	488.525	3.092	50	40	JGGB	
O=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	2622523	HGMICNTYMHLITO-UHFFFAOYSA-N	453.398	3.174	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)cc1	6088401	HFODHWWKNZZZNJ-JLHYYAGUSA-N	469.519	3.180	50	40	JGGB	
O=C(CNC(=O)c1ccccn1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	9510816	TUDUHXZBLTXOBT-ANYBSYGZSA-N	482.327	3.186	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC	16186965	GUMSDRTYSFELBM-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1	16309705	SPCSNKIXQIQDAK-UHFFFAOYSA-N	479.002	3.050	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)cc1	58873588	WOBSEAAGQIAOME-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCc1ccccc1	58881120	DBUYXLOITRHEMH-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1Cl	408776317	YMMUKRAUXQCDMK-CIAFOILYSA-N	488.791	3.418	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1cccc(C(F)(F)F)c1	409157894	WSHJXJLBAWPOSX-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OCC)c1	409175877	WHGFOEMWVASZBW-RPPGKUMJSA-N	493.347	3.162	50	40	JGGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])cc(OC)c1OC	409220079	YACBKZKNYUWJCG-MXAYSNPKSA-N	495.444	3.309	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OC(=O)c1ccc(Cl)cc1	2349234	CIIVFDOXPFKWBC-FOKLQQMPSA-N	473.942	3.329	50	40	JGGB	
Cc1nc(C)c(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1C(=O)N/N=C/c1ccc(N(C)C)cc1	3209198	LKXUSJQHKMYHDW-LPHFKDDMSA-N	485.592	3.358	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C3\CCCc4ccccc43)nnn2-c2nonc2N)cc1	13816653	APQOOVJYOYNJFV-LGUFXXKBSA-N	472.509	3.159	50	40	JGGB	
Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NNS(=O)(=O)c1ccccc1	13955614	GHAZUWQDKLODOR-VWLOTQADSA-N	488.569	3.421	50	40	JGGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(Cl)c1	33375288	KPSYHZDIQFXGJS-FSJBWODESA-N	480.746	3.104	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCc1ccco1	58881446	PBYCDMALRUUQTH-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1	409027016	QDJZWQMPBGPLEQ-KGENOOAVSA-N	499.374	3.160	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	409141636	JIVZDYOOZWFFHW-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1	409165038	RKYMATCYTPEQGX-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1cccc(F)c1	705388	TXNRFCWQHYHOQY-BUVRLJJBSA-N	493.582	3.210	50	40	JGGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2	2225795	UMMSBERAHRFWFA-DEOSSOPVSA-N	489.528	3.458	50	40	JGGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3ccccc3F)C(C#N)=C(N)N2C1=O	3770437	MYTKEZVEYLDYKK-AZUAARDMSA-N	492.532	3.283	50	40	JGGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1-n1cccc1	4083534	YJINNVCPGWFLSG-WPWMEQJKSA-N	455.518	3.055	50	40	JGGB	
COc1ccc([C@@H](CC(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)NC(C)=O)cc1	10124421	CEVXUMBJFRKFNQ-HSZRJFAPSA-N	466.513	3.270	50	40	JGGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1	12032447	YDGBWVSKLRHVFW-QGOAFFKASA-N	455.561	3.143	50	40	JGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)cc1OC	12276088	RFZHAZSNWCLFOV-VOIUYBSRSA-N	468.531	3.364	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1O	19948908	LYFOKTOWPTYGPO-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C)cc2)cc1	20232164	XMAIPLULPXHXQN-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1	408646992	QWMQCJZIYZZCBZ-UHFFFAOYSA-N	470.323	3.475	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408780741	JJWKUQNIXHYQOQ-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cccc(OCC(=O)O)c2)c2ccccc2)cc1	409001071	GKRJGHYKSOXRFO-VUEBRRCKSA-N	495.557	3.018	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl	409155268	ICGMMZRNGIQIEL-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1	3082561	ZAIOZRAWPHBHBZ-OINMWHHXSA-N	481.574	3.052	50	40	JGGB	
COc1cc2c(cc1OC)[C@H](C)N(CN1C(=O)/C(=N\NC(=O)c3cccnc3)c3ccccc31)CC2	12659636	OQXULBLIMAUYAG-GDAZWWKNSA-N	485.544	3.156	50	40	JGGB	biogenic
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	43379767	WOPGZCXUGQQZCP-UHFFFAOYSA-N	494.332	3.288	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)c(OC)c2)Cc2ccccc2)cc1C	105876309	RTKABUALUGELIG-YSMPRRRNSA-N	497.573	3.059	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1	408749251	MFDRNYQWHBCYIF-DNTJNYDQSA-N	486.116	3.448	50	40	JGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408925798	QISNWVHTQBVUNR-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)c1	409252122	STBHTRLRBLRJID-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CN(Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)nnn1-c1nonc1N)C1CCCCC1	9497966	HKCTVRCRKCCJNO-YSURURNPSA-N	492.371	3.068	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc(Br)c1O	19364076	PNRAKZYWINLERY-WYMPLXKRSA-N	495.805	3.085	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	19950321	MKHOQINAXKYMSE-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1cccc(Br)c1	20060490	QQNPUHPJAAULTJ-VXLYETTFSA-N	489.189	3.128	50	40	JGGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3ccc(OC)cc3OC)cc12	33351183	ZLETZFCLBJSPAU-MXAYSNPKSA-N	453.495	3.210	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	408781905	FONURQVUAJWAEU-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1cccc(I)c1	408784159	SXKHTRCSTMMNCI-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2)cc1	409154090	FTOZFDYASXDWDT-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OCC)c1	409162614	GKLWOTJLHJOTNT-MZJWZYIUSA-N	488.972	3.431	50	40	JGGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(N)=O)C(=O)NCc1ccccc1	409264461	KJEPQIGJPMTIJQ-MKMNVTDBSA-N	493.155	3.299	50	40	JGGB	
Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	892240	CBSDVVHNGRSSJB-UHFFFAOYSA-N	465.366	3.287	50	40	JGGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1O	8780762	BEKJXVWRDSNXRI-FSJBWODESA-N	491.342	3.434	50	40	JGGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)NCc1ccc(Cl)cc1	9059251	JRVKJJOILMVFGQ-GSERBOKHSA-N	453.926	3.237	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1OC	20213693	UHTCPEXEAKKEQC-WGOQTCKBSA-N	480.546	3.001	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1	408760695	DHKJTJYWDBTOHW-RGVLZGJSSA-N	494.279	3.482	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1	408781754	DPARNQOVNCYFMG-CIAFOILYSA-N	452.374	3.489	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccccc3Cl)o2)c1	409158521	YGWNNEYFJNZRMP-UVHMKAGCSA-N	483.908	3.422	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1	409158811	LVISMKMGEZHJTH-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)c(I)c1	903824	RKLLZWHRCZHKRZ-REZTVBANSA-N	479.068	3.184	50	40	JGGB	
Cc1cc(OCC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)c(C(C)C)cc1Cl	2266383	SMZPRRNECCNSMI-ZZIIXHQDSA-N	484.984	3.307	50	40	JGGB	
C=CCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2cc(Br)ccc21	2335807	OGCCCMCKQBDTPN-QNGOZBTKSA-N	464.117	3.273	50	40	JGGB	
COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)COc1ccc(C)cc1Br	8442938	GLNGLGZVMQPFIJ-BUVRLJJBSA-N	462.344	3.344	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@@H]1c1ccc(C)cc1	12250321	OFQXNFSNMCGKOU-SFTDATJTSA-N	494.529	3.321	50	40	JGGB	
C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	13522359	BOAKNSGDRHMKKX-JIEKGTPASA-N	474.410	3.024	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c(OC)c1	19956138	CQAQQBHTWYIZRR-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1	20207734	PALACMDXSUMPAQ-PCLIKHOPSA-N	451.548	3.490	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O	20209236	LFPQKANHAVGOFB-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(Br)c(I)o1	408844025	HYKKRKPXKBULPQ-IDUWFGFVSA-N	479.068	3.184	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccccc2)cc1	408923188	GCJHESUSDBVWHG-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)N1CCOCC1	409009687	BJSWKJFCCYGRDA-WYMPLXKRSA-N	466.321	3.004	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)N1CCOCC1	409010362	DNXBSLBHQZLEQV-STZFKDTASA-N	463.534	3.485	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1ccccc1F	409025164	RCHSUDVZLCVTNM-ZMOGYAJESA-N	487.513	3.058	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	409185235	UPDJNTQNCDTXNC-YYADALCUSA-N	482.562	3.225	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(NS(=O)(=O)c2cccs2)cc1	2636955	UZBMFOLNERQZSU-KGENOOAVSA-N	476.605	3.211	50	40	JGGB	
Cn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)N/N=C/c1ccccc1	2764408	OGRHJSQBVWNIRH-SSDVNMTOSA-N	459.373	3.432	50	40	JGGB	
O=C(N/N=C/c1cc(I)ccc1O)C(O)(c1ccccc1)c1ccccc1	3039428	XYAVRPZXKJZPPB-OEAKJJBVSA-N	472.282	3.383	50	40	JGGB	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC(=O)CNC(=O)C3CCCCC3)c2n1	9322740	BOHRKHBJPGSLKX-UHFFFAOYSA-N	467.353	3.073	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1cccc(Br)c1	9720512	KZKULJDJHYQZMJ-SSDVNMTOSA-N	457.284	3.472	50	40	JGGB	
C[C@@H](CC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCN(c2ccccc2)CC1	9850814	YGBJMCOVIQGKOT-KRWDZBQOSA-N	476.499	3.232	50	40	JGGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1	32576956	RAUUODSVYQJIBP-CFRMEGHHSA-N	479.806	3.379	50	40	JGGB	
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408687244	TYQBCRLANQLJJV-SLQSZJTJSA-N	464.297	3.228	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1OC	408838713	ZRISWBPPKJQJOB-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2cccnc2)cc1	1479526	DPBHHGVUGXRTQZ-VULFUBBASA-N	459.535	3.365	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	3573088	UVUWRPIRWVLKSM-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
Cc1ccc(-n2c(C)nnc2SCC(=O)NNC(=O)c2ccc(Br)cc2)cc1	6280015	KRSCNIUQTYGQPI-UHFFFAOYSA-N	460.357	3.200	50	40	JGGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	9845928	GFDRNUPAFAPCHJ-LPYMAVHISA-N	476.352	3.383	50	40	JGGB	
COC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	9879462	LBGIKYSRPOJSOQ-SSDVNMTOSA-N	475.286	3.491	50	40	JGGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1	10021798	SUMMCVHTWWWVOK-LPYMAVHISA-N	452.565	3.049	50	40	JGGB	
O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	21289825	XMIFZHLUQKKRPF-UHFFFAOYSA-N	484.541	3.095	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	28215174	SFPFMIKCLALUJD-BWJYWGHISA-N	461.518	3.481	50	40	JGGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(N)=S	408543283	NSJGWXUZAARALJ-FARCUNLSSA-N	470.073	3.097	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1	408768211	UWGWVPZGCSRBOP-CVKSISIWSA-N	463.490	3.250	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1	408822300	LLUFOQDFBANLJT-CHHVJCJISA-N	475.295	3.153	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	2330465	QDDWMEGMQXYINX-VHXPQNKSSA-N	495.495	3.387	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1CSc1ccc(Cl)cc1	2448325	IWDGLUUSEWSZOG-DNTJNYDQSA-N	460.932	3.004	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(OC)cc3OC)c2)cc1	3318403	FSHQPVJYBKUELM-BUVRLJJBSA-N	469.519	3.277	50	40	JGGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O	8994028	CMVVAVFXHZTPTF-ZVHZXABRSA-N	471.922	3.384	50	40	JGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	20214545	VYSPDQARVDUSAR-FYJGNVAPSA-N	458.521	3.310	50	40	JGGB	
C[C@H](C(=O)NNS(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12	23249382	NDVQICVWCREHQI-MWTRTKDXSA-N	474.542	3.111	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)c1	39986751	AVQXIVTYCWIGDB-XYGWBWBKSA-N	483.546	3.267	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)NCc1ccccc1	58881070	LKORQWLWFIPSBK-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	408768824	JYMZTYLOJKGODC-KGENOOAVSA-N	468.373	3.154	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1	408772779	HUHVGWSWTGSKHR-YZSQISJMSA-N	479.558	3.381	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2cc(Br)ccc21	2329833	IBKNNOBRBJZOTN-QNGOZBTKSA-N	466.133	3.497	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	9169099	GYBQDNYSDDIAEJ-UHFFFAOYSA-N	464.543	3.041	50	40	JGGB	
Cn1c(CC(=O)NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)nc2ccccc21	9219648	XSOXWZOXXYOJMJ-OAQYLSRUSA-N	489.963	3.478	50	40	JGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC	12495119	CGVDMBXWBRAXFG-QGOAFFKASA-N	455.536	3.424	50	40	JGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1	13401007	HAZXKGTYBMZUMY-RVDMUPIBSA-N	452.448	3.356	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1	14921761	KMAVBPZLUWTUGO-RGVLZGJSSA-N	452.261	3.294	50	40	JGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(I)c1	20100776	BMDYEGXGAKAVIZ-RGVLZGJSSA-N	454.264	3.228	50	40	JGGB	
CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(OC)cc1	59490225	JLPGUJDXUYXFML-KGENOOAVSA-N	468.373	3.154	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCC(=O)O	408749018	JYSFZBQVAZNRSZ-UFFVCSGVSA-N	451.273	3.084	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OC(C)=O	408763024	GWHFCOSLQVWIIA-KEBDBYFISA-N	450.245	3.445	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408778223	CFMGHIBFLMGKCW-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccco3)c2)cc1Cl	409259450	ZGHFVWGMOOAIKD-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
C#CCOc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OCC#C)c(OCC)c2)cc1OCC	8722485	XUUYWDOUZUBHCM-HEPXYTLMSA-N	462.506	3.175	50	40	JGGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)c(C)c3)n2C)cc1	8733044	OWFATEBILYCBTF-UHFFFAOYSA-N	459.959	3.071	50	40	JGGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1OC	15134211	HRJUXZQURPYMGC-YDZHTSKRSA-N	464.316	3.366	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)c1C	20214171	DYKMBZDGLZQTAA-SRZZPIQSSA-N	452.374	3.291	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59960333	AVJGEIMZSLQVMU-VULFUBBASA-N	486.956	3.265	50	40	JGGB	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O	100777551	MTOTXNDDEBPXOP-RESGPWOGSA-N	497.585	3.133	50	40	JGGB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNC(=O)c1ccccc1I	408526153	AOQRIYNHGWLMEP-WJDWOHSUSA-N	460.275	3.141	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccc(F)cc2)cc1	409056696	NIJMMITVDPSFJJ-AFUMVMLFSA-N	455.511	3.181	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1	409151796	HOBXEUXSRJMICR-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1	409169369	PUBAUSSIXFHWGR-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccccc1C(=O)O	2705648	HKAKHEASIXDGBK-AFUMVMLFSA-N	458.499	3.326	50	40	JGGB	
O=C(CO/N=C/c1ccccc1Cl)N/N=C1/C(=O)N(CN2CCCCCC2)c2ccccc21	3192957	UUEXHQFJXZZNTP-JXDMZRLOSA-N	467.957	3.391	50	40	JGGB	
CCCc1c(C(=O)N/N=C/c2cccc(OCc3c(F)cccc3Cl)c2)nnn1-c1nonc1N	9308089	DAHSZEZGFMJGSH-KBKYJPHKSA-N	498.906	3.320	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1	19947913	PGSBWWIWTDUOCR-ZVHZXABRSA-N	451.504	3.069	50	40	JGGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)c(OCC)c1	33926623	RRXNIRHACCZOEU-PDGQHHTCSA-N	452.463	3.359	50	40	JGGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c2ccccc21	408747611	QIMMGBJXTDBUPA-LSHDLFTRSA-N	491.285	3.191	50	40	JGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)cc(I)c1O	408816207	RFBDJDDNAXRWKX-JVVDXDAESA-N	496.086	3.423	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc(OC)c1OC	1089398	BPOIITIHSAHKNJ-FSJBWODESA-N	473.327	3.484	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccco1	1445356	MBSIJZTXADMYKV-YDZHTSKRSA-N	453.407	3.335	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1	9501228	GHKPOJAEJLOAEJ-GFIJVFARSA-N	480.517	3.184	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)c1ccccc1	19956948	UJIOQWQVFHUTRK-HZHRSRAPSA-N	452.492	3.325	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)COc2c(C)cccc2C)o1	409157664	NEXZTPWTLSCRTD-RPPGKUMJSA-N	464.478	3.425	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)Cc2ccccc2)cc1	409186083	WJBSNLPQQMJYAS-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1	409256279	LEWYITFMPSWTTE-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc2c(c1)OCO2	12318653	UGGKCYCRLKVCNL-UHFFFAOYSA-N	460.442	3.437	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	15018716	KOCJEIKABFWDMB-ZMOGYAJESA-N	476.917	3.008	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(C)cc2)cc1	408908952	ZGCYBPZXORKAJA-WGOQTCKBSA-N	495.557	3.120	50	40	JGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	409023382	SYLKAIODJSKLLX-RCCKNPSSSA-N	499.374	3.182	50	40	JGGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	2541979	QASXMRDICKCOLR-LGJNPRDNSA-N	468.477	3.037	50	40	JGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)c(C)c2)cc1	13562645	JUIBMAJFTXPZSW-BUVRLJJBSA-N	462.344	3.344	50	40	JGGB	
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)[nH]n1	18254660	XFYQOFUKDYEUQG-SRZZPIQSSA-N	474.258	3.306	50	40	JGGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1	58880834	BORRLEWAVCVWHG-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c1	59960019	KVZKVKYPYFNDCG-CVKSISIWSA-N	450.539	3.220	50	40	JGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NN[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O	102347236	ACLGXTBFUYGYTC-QGZVFWFLSA-N	454.939	3.334	50	40	JGGB	
O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408681282	HNJBTSFYFKPYSV-VWQYPGANSA-N	461.356	3.212	50	40	JGGB	
CCOC(=O)/C(=C/NNC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C(=O)c1ccccc1	408891896	DYEHOGFEKNBKBQ-HAVVHWLPSA-N	488.496	3.479	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1	409251968	ARVIIUYHFYRJOT-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccccc2)cc1OC	9056952	YXXXUJWQBWZGHM-OEAKJJBVSA-N	473.576	3.107	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C)cc2)cc1	14186177	FHNSIUIMVXKHFM-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	19859279	NLQOPLXJALVILK-GOSISDBHSA-N	461.349	3.014	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccc(Oc2ccccc2)cc1	20214041	WTYVPYYAKQYYTB-YZSQISJMSA-N	478.530	3.298	50	40	JGGB	
O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	22802803	JCHPOEBGWKDUQV-MTDXEUNCSA-N	456.546	3.467	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1OC	408606901	MODUQOYIVRNSSB-MUFRIFMGSA-N	479.508	3.231	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1	409010329	JWJKELYOLMXJHV-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1ccc(F)c(Cl)c1	409167199	HOVRGZWZUXVGKA-CCVNUDIWSA-N	482.899	3.263	50	40	JGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1	2676394	HNIJVUGWNWBPCL-RNIAWFEPSA-N	460.406	3.031	50	40	JGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	8892283	JBKUBQOQGWFBKT-JOCHJYFZSA-N	460.446	3.427	50	40	JGGB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	12880926	PYJWSGGUDBQVQE-UHFFFAOYSA-N	465.337	3.109	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OC	33518660	KRFYPNFKPBLVJC-JAIQZWGSSA-N	483.262	3.300	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1cccc(Br)c1	408784966	XEVQDYIRXFTYIE-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409253864	GTUCAWICJGWFAM-WGFYCLKKSA-N	468.554	3.084	50	40	JGGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(N)=O)C(=O)Nc1ccc(O)cc1	409272413	QCLKDSBHMXFBAW-VZUCSPMQSA-N	495.127	3.327	50	40	JGGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cnn(Cc4ccc(F)cc4)c3)c12	8782487	FYQAZHOWNSCITI-UHFFFAOYSA-N	478.557	3.169	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1OCC	20208836	SODIOBHJPIRFGN-LFVJCYFKSA-N	461.584	3.353	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20212665	RIRILULVXVXANT-HAVVHWLPSA-N	467.975	3.362	50	40	JGGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1	33715026	AHQICMIIILEFAL-IMRQLAEWSA-N	491.577	3.198	50	40	JGGB	
COc1ccc(C(=O)Nc2ccc(Br)cc2[C@H](NCC(=O)NN)c2ccccc2)cc1	57054052	ICLUSXDBEHEPCN-JOCHJYFZSA-N	483.366	3.379	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59435421	PWXWBLQQVBSTPJ-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccc(Br)cc1	408782614	XIOZJKXTXNHMRK-VXLYETTFSA-N	489.189	3.128	50	40	JGGB	
Cn1cc(Br)c(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)n1	1088962	XOGZQESTORCRPQ-AYSLTRBKSA-N	480.942	3.177	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1	1089076	MIBAEAKCMGAIAV-SSDVNMTOSA-N	471.315	3.432	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OS(=O)(=O)c1ccccc1	2077211	NENLMTFHAOFOIX-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1	2590460	WDYXTEWCFQBIMM-NSHDSACASA-N	455.330	3.188	50	40	JGGB	
Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NNS(=O)(=O)c2ccccc2)c2ccccc2n1C	9096589	MGHMBLPFGCNJFL-RUZDIDTESA-N	488.569	3.042	50	40	JGGB	
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c21	9846862	NRZAMYVBJBRHSU-KUHUBIRLSA-N	472.339	3.325	50	40	JGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	14166244	HFHFKWQNDKZDDP-WGOQTCKBSA-N	460.515	3.286	50	40	JGGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1	16322908	NBWXGACYYLDBND-WGOQTCKBSA-N	453.539	3.003	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1	58873131	WNSBTPLSEZTBMY-QQXSKIMKSA-N	466.538	3.002	50	40	JGGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409011842	IWBLMYUTJSQGDP-LSHDLFTRSA-N	499.280	3.317	50	40	JGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(N)=O)=C(C)N2)c(OC)c1	4663004	ZTOJJDGHNCTWHR-HXUWFJFHSA-N	470.576	3.318	50	40	JGGB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	8766318	HRNRKSOLVBJEES-RGEXLXHISA-N	489.644	3.295	50	40	JGGB	
CS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1	8880804	VRNMNFNPJZFPSA-UHFFFAOYSA-N	475.526	3.292	50	40	JGGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1OC	9046359	OURWGMPCWKLXBC-ZMOGYAJESA-N	463.450	3.296	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)cc1	13648036	OXITTXRBNMETIU-CVRYGXJASA-N	473.533	3.252	50	40	JGGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(I)cc1	23358565	VIOPKQCJIRQQBR-PXLXIMEGSA-N	463.319	3.277	50	40	JGGB	
COc1cc(/C=N\NC(=O)CNc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	96703910	GGABZLUVEYSIQV-QFEZKATASA-N	498.517	3.242	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccc(Cl)cc1	408660589	BBFFDOVHSZVPJP-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1	408661011	CJBJQPPDEMMALT-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)CNc2ccc(Br)cc2)c1	408691631	JHSGWTDBYCUORM-DNTJNYDQSA-N	457.122	3.488	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408785213	ZZQSGTYZKRQMKZ-WGOQTCKBSA-N	495.557	3.136	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	408906850	JDDRDVDOKVOYBM-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2)cc1OC	409111827	CMURMASNSXADAK-YZSQISJMSA-N	496.589	3.115	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c2ccccc21	409332633	QRICXZMMBAGPPR-XTCLZLMSSA-N	496.976	3.417	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1NS(=O)(=O)c1cccs1	6146933	XHZOBRDYAYZZRW-XQNSMLJCSA-N	470.576	3.149	50	40	JGGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(OC)c1OCc1ccc(F)cc1	8868202	VBAMRLOQHYBMEJ-RQZCQDPDSA-N	463.469	3.129	50	40	JGGB	
O=C(NNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1cccc(S(=O)(=O)N2CCCC2)c1	9120594	SFGVQWNHVQSRAK-UHFFFAOYSA-N	494.529	3.367	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)Nc1ccccc1Cl	59959840	ZRWRSUWUFTXNTH-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
Cc1cccc[n+]1[C@@H]1[C@@H](c2ccc(Br)cc2)C(C#N)=C([C-](C#N)C#N)N[C@@]1(O)C1CC1	217336770	BUIVVPFEMFIUSN-QPTUXGOLSA-N	474.362	3.471	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OC	408745964	BOYZUQMHLMYZIZ-RGVLZGJSSA-N	454.264	3.471	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1	408777992	NQCDHVJURWYSPF-VULFUBBASA-N	495.557	3.386	50	40	JGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1	15469314	LICVPQDARWTDAO-UHFFFAOYSA-N	472.592	3.222	50	40	JGGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	28214579	NPKGFWRMRZABQA-QONXGAMPSA-N	455.580	3.133	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1	58925745	NCWAVFJUPLWWCB-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	59386646	VIWFNIOYJMQXNR-UVHMKAGCSA-N	465.893	3.414	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC(=O)O	408677619	SVJHAPSSYNNTNO-FSJBWODESA-N	476.327	3.285	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1cccc(I)c1	408771395	GKNDRXMXNKMJCZ-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1cccc(Cl)c1Cl	409262809	HNWLORZKXWEHKS-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1cccc(Cl)c1Cl	409267216	UCUJPKPKWUFQNI-WYMPLXKRSA-N	463.321	3.083	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccc1Cl	2085335	NRNOAWHQUCEFCB-LSFURLLWSA-N	478.836	3.183	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C/c1cccc(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	9065165	XLJWHIKFLCENHR-ODDBZWQPSA-N	459.893	3.198	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	13636260	NVIKYJMTVCLOIL-YIXLHGLCSA-N	459.930	3.127	50	40	JGGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	15222039	FWXGIFJUATZZJW-UFFVCSGVSA-N	451.342	3.384	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1OC	16187080	XNIGZQDWEIZZLO-PCLIKHOPSA-N	483.546	3.267	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33499013	LOLLBPPCWUFRJZ-PUNPWFEUSA-N	451.486	3.210	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)cc2)cc1	58873139	ROPPPHZSGKBIDU-MIXAMLLLSA-N	472.545	3.212	50	40	JGGB	
COc1cc(C(=O)N/N=C\c2cc(OC)c(OC)cc2C)ccc1I	408549439	SUMFHBQJOXBARQ-JMIUGGIZSA-N	454.264	3.389	50	40	JGGB	
COC(=O)COc1cccc(/C=N/NC(=O)CSCc2ccccc2Br)c1	408874066	XZYKVXHARWWOPK-UFFVCSGVSA-N	451.342	3.384	50	40	JGGB	
O=C(N/N=C/c1ccc(I)o1)c1cccc(I)c1	408995085	IPWMXMAPERBJOB-VIZOYTHASA-N	466.016	3.253	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2F)cc1	409004143	ATJCWMAZHZSGJY-AFUMVMLFSA-N	484.509	3.384	50	40	JGGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1	409157550	VWAFQLQNOLIUSY-JFLMPSFJSA-N	463.490	3.243	50	40	JGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1	8861594	DCMUDNBCILVTFX-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	15936893	PJIUGNMBRWFSPT-LFVJCYFKSA-N	451.504	3.201	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1	408759173	ZCGIRKHNBWBJCK-YPKZHZFPSA-N	482.400	3.306	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	2318409	QDFHYAOQAYJQDG-ZYNFKGNASA-N	498.391	3.207	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccccc1O	3666160	OHSLVVFHRWAEAC-REZTVBANSA-N	461.053	3.229	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)ccc1C	9585875	AKUAPHGNQQRADO-UHFFFAOYSA-N	468.535	3.024	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OC	408756511	SNBLCGCKULBKAX-UDIPQKBFSA-N	461.584	3.246	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408762073	IXSWXVXPDJFAQL-FYJGNVAPSA-N	459.436	3.118	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408785498	ZTFFWQAOQAPKPD-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)NC(N)=O	409236470	GUBWAZFVYALYEN-MLPAPPSSSA-N	465.222	3.111	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1O	1014036	KHLFLXQQAWHMEJ-CNPYVQQSSA-N	472.350	3.011	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1O	1474068	JNLWJCAZEYCSJA-VULFUBBASA-N	490.541	3.351	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1C#N	8424440	HUCFXZMNSIBIJU-OPEKNORGSA-N	463.450	3.414	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)ccc1OCC(N)=O	9370602	CHOMUFQPRWLFEL-OAQYLSRUSA-N	477.546	3.101	50	40	JGGB	
O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccc(C(F)(F)F)cc1	9849728	AAPQFQQLFGHZJY-UHFFFAOYSA-N	464.227	3.429	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC	10118647	PTEVGJQFKZHNLK-WSDLNYQXSA-N	496.301	3.396	50	40	JGGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	12525677	UOFSCQPBJRYTMS-OAQYLSRUSA-N	460.515	3.456	50	40	JGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1	17917512	UKXIQNKPLCNAFV-LTNULWHISA-N	478.574	3.263	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1	19953751	DTQYTGQVIRXJOH-CNRHGSOZSA-N	468.373	3.153	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C/C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33499012	LOLLBPPCWUFRJZ-JPNLKUJMSA-N	451.486	3.210	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Cl	408907169	LVPLCBUBHUQURM-NUGSKGIGSA-N	451.829	3.414	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1	408922959	DCVSGUVMLIIARM-KHCKMINHSA-N	460.600	3.236	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCC(=O)Nc1ccccc1	409161261	ZYBCCPXRVMPTNV-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C	409170511	WAROFXIUUCXPQZ-YSURURNPSA-N	495.761	3.015	50	40	JGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc3c(c2)OCO3)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8442036	FLOICXOMJNHKCA-XUZZJYLKSA-N	479.496	3.477	50	40	JGGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	9218769	ADILDVKGKBSYBZ-UHFFFAOYSA-N	488.569	3.313	50	40	JGGB	
Cc1cc(N2C(N)=C(C#N)[C@@H](c3cc(CN4CCOCC4)c(C)s3)C3=C2CCCC3=O)no1	12446662	FFNJKXMAJDHWGS-QFIPXVFZSA-N	465.579	3.490	50	40	JGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3csc(NC(=O)c4cccs4)n3)ccc21	16502342	WICSDFJQPNUBMJ-UHFFFAOYSA-N	468.564	3.139	50	40	JGGB	
Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1C	17122333	KOGKGNMJMNFMAC-GASCZTMLSA-N	474.608	3.468	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OCC	20209623	VEVCUMQXZKDXKB-OEAKJJBVSA-N	467.975	3.444	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1F	20211673	DIJZZBXVDXPQTC-MFKUBSTISA-N	455.511	3.321	50	40	JGGB	
CNc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I	408785208	ZVFMZUHEAALVBQ-WMZJFQQLSA-N	495.102	3.369	50	40	JGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br	408818957	POTSPUORAORBLE-SXGWCWSVSA-N	459.296	3.233	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OCC	408882509	QJOIBYIGULMVQB-BUVRLJJBSA-N	461.584	3.407	50	40	JGGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1O	408981152	UXPZEBCALGMTEZ-NSRYLYFRSA-N	467.547	3.269	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409168363	LTAWFCYBMUTHKW-LGJNPRDNSA-N	468.554	3.003	50	40	JGGB	
CCOc1c(Br)cc(C(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC	13133964	YZOMIVZZFLQWPJ-UHFFFAOYSA-N	493.354	3.410	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	13522666	FIJSBERMFMUILT-DKZAEMHHSA-N	490.560	3.330	50	40	JGGB	
COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc(C(N)=O)cc3)c2)cc1OC	20158861	ULIWVZHZVXMLNZ-RWPZCVJISA-N	460.490	3.209	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1Br)S(C)(=O)=O	20212148	VSXILYYGEFFZCS-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c2c1[C@H](C)CC2=O	24974415	XDZXOSUUOLKGQG-MRXNPFEDSA-N	496.541	3.092	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1	59472788	DAVVRVYLGMYRFQ-OVVQPSECSA-N	492.557	3.333	50	40	JGGB	
O=C(C[C@@H](NCc1ccco1)C(=O)O)N/N=c1\scc(-c2ccccc2)n1Cc1ccco1	101455614	HDCOEYOZISJDLS-YXKKDJNZSA-N	466.519	3.016	50	40	JGGB	
O=C(Cc1cccc2ccccc12)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	408739804	AQYFXDPWLOCNDB-KTCKORJGSA-N	464.934	3.202	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1	408906590	IALNMXUZNIEJDU-MFKUBSTISA-N	481.530	3.160	50	40	JGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	408995955	FZQDOYJFDRRHJB-JVWAILMASA-N	485.500	3.050	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1	409029058	VBKZQGGXGGVUGC-OEAKJJBVSA-N	470.507	3.334	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	409250692	MMYYYMROHIRABR-NXUGVVLJSA-N	488.972	3.348	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1cccc(C(F)(F)F)c1	409259389	ZEPKRDYGVZPLJA-KVSWJAHQSA-N	488.422	3.082	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2C[C@H](CCl)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2CCl)cc1	1701344	XMRJELMRPKHYCS-HDICACEKSA-N	491.462	3.213	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2	2255187	LLGYTUKZEXXIGW-JOCHJYFZSA-N	452.555	3.124	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1F	9320619	ZTJVVOFPQFWBLE-UXHICEINSA-N	453.495	3.244	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1	9910591	WLAZLBKLDCVCRI-UHFFFAOYSA-N	487.965	3.244	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1	13806190	RIQUUFCBFARYHX-LTKMBJGESA-N	456.907	3.379	50	40	JGGB	
CCn1c(SCC(=O)N/N=C\c2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccc(C)cc1	30735381	QNPHQRLSTHSOHI-MXAYSNPKSA-N	497.577	3.458	50	40	JGGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc(OC)c3O)cc2)CC1	36035145	XXDMVOURLOJEHT-MTDXEUNCSA-N	474.561	3.496	50	40	JGGB	
O=C(NNC(=S)NC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	66091663	OXVDRMDJKMCSPF-UHFFFAOYSA-N	457.147	3.161	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccccc1	408645856	MWPWCXUYBTZSJN-UHFFFAOYSA-N	485.846	3.472	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1Br	408873946	XRELWDFQEYEBPX-QGMBQPNBSA-N	493.177	3.029	50	40	JGGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)c1C	409170299	UPXPDYYOTQNVKG-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc3c(c2)OCO3)cc1	409226962	WSHJIHGIROFAKI-MSXFZWOLSA-N	463.402	3.315	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1C#N	8424442	MFJMARLZCXJNLN-OPEKNORGSA-N	479.449	3.114	50	40	JGGB	
COc1cc(Br)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1OC	12922821	LXRGADICZJLHPT-UHFFFAOYSA-N	489.413	3.420	50	40	JGGB	
O=C(CSc1cccc2cccnc12)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	33048044	WMIIVKTWXWACQZ-UHFFFAOYSA-N	457.455	3.235	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)c1	35402950	VPFASROEKOGKHC-QQXSKIMKSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC	58882778	KGBDZGXADOXPFN-QRQIAZFYSA-N	461.518	3.092	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	136529865	YBWBKNWQBNGMGI-PLACYPQZSA-N	474.860	3.267	50	40	JGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Br)c(OC)cc1OC	408606839	RDYXSEBLTVBBEF-INIZCTEOSA-N	479.356	3.414	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccccc2Cl)cc1	408771032	DQDHKRLTMNCFGK-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1O	408857407	UXLURCVXTWGDEB-ANRKENSESA-N	477.970	3.086	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl	408882123	LHKVIGOHIUUGLG-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
COc1cc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2C)ccc1I	409082530	STWVIFHMINHVMK-XKZIYDEJSA-N	479.318	3.209	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc([N+](=O)[O-])c1O	409083237	KWSMJSSROPZLBN-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(F)c2)cc1OC	409112882	CODBEWKTEMBJEL-WPWMEQJKSA-N	499.564	3.227	50	40	JGGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cccc(Cl)c1Cl	409259186	XWEQTYXCZBIGGX-PGGKNCGUSA-N	483.739	3.393	50	40	JGGB	
COc1ccccc1OCCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1OC	12285456	KXFYUCXHADJASA-NTEUORMPSA-N	494.285	3.158	50	40	JGGB	
CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1	12859481	YCUPYGNYTAKIOU-RFQOBRTLSA-N	490.482	3.286	50	40	JGGB	
CC(C)n1nc(C(=O)NNC(=O)c2ccccc2OCc2cn3ccccc3n2)c2ccccc2c1=O	40005079	AJTYLWDZVCFLJI-UHFFFAOYSA-N	496.527	3.279	50	40	JGGB	
C/C(=N/NC(=O)c1c(O)c2ccccc2n(CCC(C)C)c1=O)c1c(O)c2ccccc2[nH]c1=O	101371675	SJFYDPUJCLLUMJ-MBTHVWNTSA-N	474.517	3.454	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)ccc1Cl	101463973	AIFPQPZOOAEVOZ-DZRDUMEESA-N	477.536	3.321	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(Br)c1OC	408735605	UEDDBQKQDMTBGD-YSURURNPSA-N	491.342	3.107	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2)cc1	408908995	ZUICHLJRBXGOED-NLRVBDNBSA-N	480.590	3.497	50	40	JGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409028185	IMSIAQURHVPLLO-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1	409171013	YJCTZPVDTPIEHD-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
Nc1nonc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	3663389	AHXSLEOLORMBLA-QPSGOUHRSA-N	451.226	3.210	50	40	JGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12276138	XCYVKXZQLLBFEZ-MZNJEOGPSA-N	468.531	3.364	50	40	JGGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2ccccc2c1=O	16095548	JUQJGXFZXQGCCD-UHFFFAOYSA-N	488.875	3.102	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OC)S(=O)(=O)c1ccccc1	20461324	SOAKLNMITCGFLP-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	408921639	BOTCNJCVBSJMJN-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1	409007168	ULYIJIANBWTIIE-YZSQISJMSA-N	451.523	3.271	50	40	JGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1C	409129938	MTUNVNDHGHHJCN-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cc(C)sc3C)nnn2-c2nonc2N)cc1	9330706	PAVOBQFKBPCRHQ-FSJBWODESA-N	466.527	3.131	50	40	JGGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)OC3)c2ccccc21	12361934	GQYASQMJCHBIPE-DEOSSOPVSA-N	477.307	3.236	50	40	JGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	20213755	OREKERWQIZYRNQ-YDZHTSKRSA-N	473.352	3.190	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1	408771627	IHLSWSTXXGTSON-OEAKJJBVSA-N	450.992	3.411	50	40	JGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)cc(I)c1O	408816210	RFBDJDDNAXRWKX-OPWUTIMJSA-N	496.086	3.423	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	408832329	SREOJLBTXAJMPV-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(OC)c1OC	408981991	XCNPZUXBYREBAQ-FOGHPNEFSA-N	487.553	3.273	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCC#N	408998198	AOXKBFUYTBKSQB-IYAOEYEUSA-N	482.537	3.158	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1	409254886	JNEFHWBZBMDWMW-WPWMEQJKSA-N	472.501	3.358	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccccc1	9307860	GLMZPRGNSAPKHS-FSJBWODESA-N	468.930	3.332	50	40	JGGB	
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	14359457	JBADANAIHGUWMK-UHFFFAOYSA-N	467.591	3.489	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)cc2)cc1	58873667	MZWMGBXAJWNBJF-AXNZHVIBSA-N	474.517	3.040	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	408538016	YMRGTONFVDYYIS-SQEMJAKJSA-N	497.511	3.171	50	40	JGGB	
COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cccc2OC)cc1	408609468	JVBRHGRLZGKZIR-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(O)cc2O)ccc1I	408747570	PSYWBFIBYYKMBJ-CNHKJKLMSA-N	491.079	3.237	50	40	JGGB	
C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409130520	WEPSLUJWYKFYGT-OAHLLOKOSA-N	464.263	3.114	50	40	JGGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc2cc(Br)ccc2o1	1105230	OMXDXLGPACCKNB-ZMOGYAJESA-N	486.322	3.197	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	3089090	CKMWJNXKKJTVHW-FXVMGJAWSA-N	464.591	3.101	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	3089092	CKMWJNXKKJTVHW-PSQINSSGSA-N	464.591	3.101	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCC(=O)OC	8812431	HITNGXJUUDKNKW-LSHDLFTRSA-N	453.264	3.303	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	9290553	IKKAVKVYRVZYNG-ZWAQGKOVSA-N	462.527	3.045	50	40	JGGB	
O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	12762516	AWGOWHSRJHEADS-UHFFFAOYSA-N	490.951	3.101	50	40	JGGB	
COc1ccccc1NCC(=O)NN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21	33014826	JDVDFXWCNXGYAO-RCCKNPSSSA-N	456.502	3.264	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	59401649	LVXGFEJRJYKGTL-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)NCc1ccccc1	408856172	IXTHUCNDTROQAV-BOPFTXTBSA-N	462.893	3.411	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2ccccc2)c(C)c1	409146689	SIKIGZCZYHKIQQ-CVKSISIWSA-N	450.564	3.348	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1	409156127	RYIAGJNUPVWRFQ-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)cc1Cl	409253309	BHOWZYKGAMMWJI-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NNC(=O)Cc1ccccc1	924823	UEACEJQOJQBITL-FQEVSTJZSA-N	450.564	3.211	50	40	JGGB	
O=C(NNC(=O)c1cccs1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1	9507720	ONUXVAHGDZCWOC-UHFFFAOYSA-N	467.931	3.094	50	40	JGGB	
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccccc3Cl)c2)cc1	9883012	FYCZEWRCXUXHOY-UHFFFAOYSA-N	487.965	3.314	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	16186953	ZZWNHFHNFVIXGS-WSDLNYQXSA-N	456.351	3.329	50	40	JGGB	
C/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	20059872	AHFAMKSHBLPOOU-QJOMJCCJSA-N	452.492	3.331	50	40	JGGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	28214585	NPKGFWRMRZABQA-UATCTHGQSA-N	455.580	3.133	50	40	JGGB	
Cc1ccc(C)c(N2C[C@H](C(=O)N/N=C/c3ccc(I)cc3)CC2=O)c1	59417689	ZMXHZPAAGXJXTB-CNPYVQQSSA-N	461.303	3.411	50	40	JGGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc([N+](=O)[O-])ccc1Cl	89840376	VSVHBIUZYNDNTN-UHFFFAOYSA-N	477.864	3.081	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1	102244992	IWRVENMOESZHDB-BVSLBCMMSA-N	469.607	3.403	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1	409261207	BXCLMEMEVLYYOS-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1	672497	ZCEUJEMRZOMZAN-UHFFFAOYSA-N	451.264	3.105	50	40	JGGB	
O=C(CSc1ncnc2c1cnn2-c1ccccc1)NNC(=O)c1ccc(Br)cc1	1221540	ALPJRPXVQYOGKV-UHFFFAOYSA-N	483.351	3.131	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1	16292544	WRUCKKKYKTVSEG-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408956529	QVXSJHLTAMSHFO-BUVRLJJBSA-N	483.502	3.372	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccccc1OC	409019216	YLARFNHGOUWXFG-DICXZTSXSA-N	462.506	3.458	50	40	JGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OCC	2710048	YOIMMRJZOSHXDY-VGSWGCGISA-N	451.523	3.351	50	40	JGGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1	2750834	VKHZBNVEQPRJDS-WGOQTCKBSA-N	473.558	3.276	50	40	JGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccc(I)cc1	9730884	JDKSPRLEIPSGSU-UHFFFAOYSA-N	477.368	3.274	50	40	JGGB	
CCCOc1c(Br)cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC	13137392	KDHCNKGNOZLICA-UHFFFAOYSA-N	451.273	3.050	50	40	JGGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1	13774579	RCOHGWMBJYWZAI-AQTBWJFISA-N	454.577	3.087	50	40	JGGB	
COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccccc2I)cc1OC	17136204	VGIMUSVKXGHFOE-JJFYIABZSA-N	476.274	3.462	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	19950757	BPGHWQDRHSDGLF-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1	20214836	SDOGMVSMMMIGKW-KIQCMGJBSA-N	490.969	3.210	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F	22687922	SKVZBPFBYXWNAD-ZVUJHCQASA-N	499.608	3.079	50	40	JGGB	
O=C(NNS(=O)(=O)c1cc(Br)ccc1Br)c1ccc2ccccc2n1	28913613	HRLXARDCCJNKTG-UHFFFAOYSA-N	485.157	3.383	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1	59246436	LPYIYUTZIIUCMF-MSXFZWOLSA-N	452.338	3.363	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(F)c2)Cc2ccccc2)c1	108169333	VGBDGJZBXBQJKK-YSMPRRRNSA-N	485.537	3.184	50	40	JGGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@]3(C=C[C@]4([C@H]5C(=O)OC(=O)[C@@H]53)[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H]3O[C@@]324)C1	118936226	IGFBSNDEYYBSQG-KBDGUWQBSA-N	468.546	3.143	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1	408783206	MEHUORHMNGJHQH-CVKSISIWSA-N	495.557	3.356	50	40	JGGB	
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1ccccc1	713173	NRFZTRLQDVDCOH-XQNSMLJCSA-N	475.592	3.071	50	40	JGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OCC	2710047	YOIMMRJZOSHXDY-VGOFRKELSA-N	451.523	3.351	50	40	JGGB	
CCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2cc(Br)ccc21	9380280	ACWKPEYTUDRRJL-FCDQGJHFSA-N	475.299	3.403	50	40	JGGB	
C/C=C/C=N/NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	12362758	FMLNKBHMVMCFPL-HWOCSUPXSA-N	471.495	3.213	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	20094997	ILIXLNWUYIAYOF-DNQXCXABSA-N	459.527	3.429	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1	20214718	RQRAGTVKRHUYSP-FYHAJLKWSA-N	451.548	3.252	50	40	JGGB	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	100532320	XEUCFVHRGPNGDG-SLMZUGIISA-N	491.345	3.246	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1cccc(I)c1	408782707	ISOFZHUTCHCNLP-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408964581	VIWRUYJDZYLFNR-WNFNFYEPSA-N	455.555	3.462	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1	408978350	IJAYFOJXWWCAQJ-PCLIKHOPSA-N	456.955	3.119	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nc3ccccc3c2=O)cc1	1269163	PSIUORIEWAVRSX-AFUMVMLFSA-N	460.515	3.342	50	40	JGGB	
COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)sc2=O)c1	1900504	ZWMHPKTVYMQODL-LSHDLFTRSA-N	474.882	3.070	50	40	JGGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770070	GNCKPTOKIWISKW-UYAOXDASSA-N	492.532	3.283	50	40	JGGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1	3913878	INPNTRFOJCYUAW-UYRXBGFRSA-N	469.588	3.397	50	40	JGGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1cc(Br)cc(Br)c1O	12558398	SQJFMSHCGNYRRC-IGCPIRJNSA-N	497.065	3.248	50	40	JGGB	
O=C(CBr)c1cc(I)cc(I)c1O	15230250	UQDIUVDXFPDDJE-UHFFFAOYSA-N	466.838	3.179	50	40	JGGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(I)cc1	19955448	PGQHCZGFNNYCNE-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	20214163	GKQZDISKSVWYTH-YBFXNURJSA-N	456.387	3.087	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332904	XPEVAAIZVBFUGG-IFQUPEMRSA-N	497.585	3.279	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1	408655685	LLDUJEUEOKREQT-USNOLKROSA-N	499.361	3.299	50	40	JGGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCC#N)c(I)c1	408780974	OYGYUCJTAXZBIF-WZUFQYTHSA-N	474.096	3.388	50	40	JGGB	
N#C/C(=C/c1ccc(O)c(I)c1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408905049	SLTRGXXSKGZKDM-BPLJGICASA-N	455.259	3.205	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1O	409121963	WEZCDFNFUMLVMW-OVVQPSECSA-N	495.601	3.483	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1Cl)Nc1ccccc1	409150872	FGNXLASARWDNOG-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	409161596	WFGKXGPFNPQTOA-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)Cc1ccccc1	409162062	QUAKFMKXEQDNTL-PCLIKHOPSA-N	451.548	3.178	50	40	JGGB	
O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1ccccc1NS(=O)(=O)c1cccs1	9443418	VSANZYUNAQMUGI-UHFFFAOYSA-N	471.476	3.193	50	40	JGGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	13778208	IMQLOGUHDDCWDW-VJSYINPZSA-N	460.490	3.006	50	40	JGGB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCBr	13943376	JABKQTKKAFVHDB-WJDWOHSUSA-N	459.296	3.444	50	40	JGGB	
O=C(NN[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	16758528	BRGJCAKAQZDCCV-HXUWFJFHSA-N	474.926	3.202	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1Cl	408772692	HDYIIQIHKCZIFI-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409134593	SINFTMHYPAMDEG-MOPGFXCFSA-N	455.923	3.450	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409223287	YSNLKMRHQCQOKK-AUWJEWJLSA-N	489.282	3.437	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2)cc1	409261856	FLWWNVORAZWMMX-STBIYBPSSA-N	472.545	3.341	50	40	JGGB	
O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	8763025	HYEUOKRTVDBVRU-UHFFFAOYSA-N	490.353	3.331	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Nc3ccccc3F)cc2)cc1	12745548	JJDBZMGXQANSAV-UHFFFAOYSA-N	470.526	3.421	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC	13115661	YIVCFUICKOUOQK-JPJGIZCJSA-N	464.566	3.472	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1	33335353	NODKTZJGEHRVNM-OYKKKHCWSA-N	476.371	3.209	50	40	JGGB	
CCc1cccc2c(/C=C(\C#N)C(=O)NCc3cccs3)cn(CC(=O)N3CCOCC3)c12	59087065	OHUKFARSASEXSN-CPNJWEJPSA-N	462.575	3.347	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1	408776480	OOVDBPDONDDKAC-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	409162994	KJZPSZVRDFZWOS-KBKYJPHKSA-N	493.347	3.080	50	40	JGGB	
C#CCn1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21	409362218	ILINGFRZKHVHRQ-FSJBWODESA-N	456.287	3.441	50	40	JGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1	9493836	WJRCPYIFYURSMY-LGMDPLHJSA-N	455.396	3.435	50	40	JGGB	
COc1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	9833636	RVOPSULVDMCAQW-UHFFFAOYSA-N	486.377	3.262	50	40	JGGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1	9981041	CREWSPWPAFJHPM-UHFFFAOYSA-N	487.512	3.112	50	40	JGGB	
C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)COc1ccccc1Cc1ccccc1	12815767	LRULBLZKWOXKHO-LJQANCHMSA-N	461.518	3.119	50	40	JGGB	
O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1	13006672	QLMQGQQEPJMAHL-UHFFFAOYSA-N	454.508	3.140	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)cc(I)c1O	13899589	WSNNLJUFDNXKQA-AWQFTUOYSA-N	454.264	3.151	50	40	JGGB	
O=C(NN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2	15905902	VSQGNXXGMOXEMP-HMUFGHTLSA-N	474.667	3.466	50	40	JGGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1cccc(Br)c1	25257180	CAUGJTROTGDJPJ-AWEZNQCLSA-N	474.142	3.317	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Cl)c2Cl)cc1Cl	39986704	UNIKUXLGULEPLG-NKVSQWTQSA-N	464.758	3.426	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	408538015	YMRGTONFVDYYIS-FEGPCZTRSA-N	497.511	3.171	50	40	JGGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408736277	AECIBJCGJGDJPM-SXPOYZCRSA-N	467.482	3.225	50	40	JGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1	1917625	KKMZUCAWQWGBRZ-LZYBPNLTSA-N	466.406	3.248	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2	2254929	LIHOOOXDQACDML-HSZRJFAPSA-N	482.581	3.133	50	40	JGGB	
O=C(N/N=C/c1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1	3209750	STKSLLZYBAJIEG-KGENOOAVSA-N	450.358	3.388	50	40	JGGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	13303130	UNWPNYCISXYRFF-FMQZQXMHSA-N	488.048	3.498	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OCC(=O)O)cc2)cc1	13337747	WYLOYQVAAUKZHK-MFKUBSTISA-N	497.529	3.113	50	40	JGGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1OC	13648122	VCGZEVYCQZPETR-KAMYIIQDSA-N	485.547	3.161	50	40	JGGB	
C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	16322121	XMALGSCTSPYXCW-INIZCTEOSA-N	478.530	3.106	50	40	JGGB	biogenic
CC[C@H](C)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	217488488	CFNIGCYRNHVPFF-ZRCSYTQESA-N	497.585	3.133	50	40	JGGB	
COc1ccc(CC(=O)NCC(=O)N/N=C\c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)cc1	409166112	BNTVDILLXZNBGH-MBTHVWNTSA-N	477.517	3.329	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)Cc2ccccc2)cc1	409182444	KYANMCXIJWYJOR-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)cc1	900122	RWENIGNIQPVFGL-UHFFFAOYSA-N	477.546	3.109	50	40	JGGB	aggregator
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cccs1)c1ccc(F)cc1	9883311	OSXGJLREZLIIMT-LJQANCHMSA-N	450.495	3.171	50	40	JGGB	
C=CCc1cccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)c1O	11341935	ACTCENUMCMNYEF-PVEGLGLCSA-N	481.512	3.391	50	40	JGGB	
COc1cc(C[C@@H]2CC(C(=O)N/N=C/c3ccccc3C(F)(F)F)=NO2)c(OC)c2c1OCO2	15085911	LUEJSNKYAKLESR-PVLCYISDSA-N	479.411	3.289	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1	20209633	LOTLDZHCHCOFKN-WSDLNYQXSA-N	476.898	3.425	50	40	JGGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408852393	KFOIUYIMPPBMAB-NKRIVTLJSA-N	467.327	3.086	50	40	JGGB	
O=C(N/N=C/c1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	716909	VTIONKNJYXPUKL-KGENOOAVSA-N	450.358	3.000	50	40	JGGB	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O	6166568	QNDGZADHOJRGNK-UHFFFAOYSA-N	457.515	3.214	50	40	JGGB	
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)o2)cc1	9136662	HGEYMYWIAIQFIH-SSDVNMTOSA-N	472.573	3.446	50	40	JGGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	16694108	ZCNFVPMPIWVXQE-WQRHYEAKSA-N	487.335	3.042	50	40	JGGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1C	408588768	JOKOBXNAQACCSO-OPEKNORGSA-N	465.466	3.302	50	40	JGGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	408960633	HLOIIPAZPDGZPG-OGLMXYFKSA-N	454.530	3.346	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccccc2OC)cc1	409027211	CHQCLAUJHQLAQL-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409164317	GRDUGTUMTUTDCW-KIBLKLHPSA-N	483.739	3.417	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OC	409331581	GINSLTDHCATZOA-KSEXSDGBSA-N	495.326	3.482	50	40	JGGB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	3525281	ZLFYEFBGLFIEDO-OEAKJJBVSA-N	470.378	3.097	50	40	JGGB	
O=C(Cc1ccc(Br)cc1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	17576967	CJXMGUAUEYIFLN-UHFFFAOYSA-N	494.392	3.315	50	40	JGGB	
O=C(NCc1ccccc1)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1	408683336	LDUBGCUEOSPEQE-MUJBESKKSA-N	469.335	3.126	50	40	JGGB	
Cc1cccc(CN(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408971880	LKJVFKVNTLITBG-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	694321	KQNYWHOLHPYYIN-AUEPDCJTSA-N	463.332	3.484	50	40	JGGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1	1392577	YCUPYGNYTAKIOU-XZEKQIKCSA-N	490.482	3.286	50	40	JGGB	
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cccc(I)c1	1507360	IHDZMYJXJPMHIX-UHFFFAOYSA-N	470.064	3.140	50	40	JGGB	
Cn1c(SCC(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1	2581609	LBJFFWOVIWHDGP-UHFFFAOYSA-N	450.446	3.446	50	40	JGGB	
COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1	9381816	LEOBCMWUWYRZPQ-UHFFFAOYSA-N	460.581	3.482	50	40	JGGB	
COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3ccc4ccccc4n3)s2)cc1	14944650	FOBUAROXQTYQAI-UHFFFAOYSA-N	465.560	3.244	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	33666457	QUINMRRFEGZOLL-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)ccc1O	408771915	JBFHNHYXGYWENQ-YSURURNPSA-N	493.891	3.379	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1	409256341	NVFXHVSJBYVIRJ-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OC	409263330	KJXGQLQCWORVMV-SRZZPIQSSA-N	453.280	3.261	50	40	JGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2I)cc1	1792019	DHNIVJWAQFPTOY-NTCAYCPXSA-N	476.270	3.180	50	40	JGGB	
CCCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2cc(Br)ccc21	9012811	WVSVZUSXWIVEMT-FCDQGJHFSA-N	475.299	3.322	50	40	JGGB	
Cc1sc2nc(CC(=O)NNC(=O)CSc3ccc4ccccc4c3)[nH]c(=O)c2c1C	9257695	ZCFPVTXPXVDDFJ-UHFFFAOYSA-N	452.561	3.237	50	40	JGGB	
COc1c(Br)cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc1Br	30734425	ZSOFYJPMKRUGSK-PEVZJSKXSA-N	495.171	3.200	50	40	JGGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccccc1Cl	33736565	NAFDHOQOMCGBDD-FSJBWODESA-N	480.746	3.104	50	40	JGGB	
O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)NCCc1ccccc1	58873150	LRPRPVFRVHJEME-RHANQZHGSA-N	476.508	3.042	50	40	JGGB	
Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1Cl	408664321	PYWSPQKLTHKLFG-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC	408773549	RQQVJADIPRPTJU-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C	409015720	RZIJAPQFGXAEDO-WGARJPEWSA-N	492.488	3.458	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1	409162247	YXMCAYCYJYIOPW-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1091986	KRMXGYKCIZEAPJ-ODCIPOBUSA-N	472.255	3.095	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	19950263	RPMZKWAEBIHROW-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	19956192	VXXAWFZAYSEAEI-CVKSISIWSA-N	483.521	3.405	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1	26531927	CIFCBPXNIVTVMD-ZPBCLNFZSA-N	476.558	3.067	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1Cl	58882168	PCTMZNBCSXMISP-DHRITJCHSA-N	495.879	3.355	50	40	JGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1Cl	59679004	HZSRVAXCQYXINQ-UFWORHAWSA-N	458.639	3.172	50	40	JGGB	
COc1ccc(C(=O)/C=C(/O)C(=O)NNC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	100339738	AKOQUUUCHVCZDC-LFVJCYFKSA-N	474.513	3.020	50	40	JGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OCC	408747621	QMJCWKIUVCTKNV-LPYMAVHISA-N	478.286	3.474	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OC(C)=O	408762796	GHGLWHSYFXCTLU-KEBDBYFISA-N	497.245	3.287	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	408839329	QSDPPAFWMPWXQT-NTEUORMPSA-N	475.501	3.439	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	409268528	VCLLIOKYYIYVBT-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
O=C(NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1	8927222	FBYBBECDXLNHKS-FUHWJXTLSA-N	463.317	3.257	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c(=O)c1C#N	15018628	CZUGUJNTHSFGSD-LUOAPIJWSA-N	496.907	3.025	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	19952473	QKFSEWPWFGDOSK-LFVJCYFKSA-N	481.534	3.006	50	40	JGGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	26532155	WYGKHTIFCWRRCC-JTQLQIEISA-N	461.393	3.460	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C	27026254	VBFXBXWNBUKJTP-VOSMRYOYSA-N	490.585	3.457	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	408908621	WTOLYUOACRZZBX-FIKYGGOLSA-N	457.474	3.409	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1	409261523	CQQICBQYTWBJSJ-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1	409329339	DYRGAMFZOZHVMC-SLEBQGDGSA-N	496.976	3.341	50	40	JGGB	
O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)NNC(=O)c1ccc(Br)cc1	2631496	DTXWHHHIIBKFGB-XCVCLJGOSA-N	469.238	3.068	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)/C=C/c3cccc(F)c3)cc2)cc1	3456725	RDOVXEGJWJTYMO-XNTDXEJSSA-N	481.549	3.429	50	40	JGGB	
COC(=O)NN(C(=O)OC)[C@]12CCC[C@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2ccccc12	5551341	PRQDCKPYLYZROT-HXOBKFHXSA-N	486.481	3.497	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(O)cc1	9444761	ZESJQBGEEANSQP-LFIBNONCSA-N	461.952	3.098	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	20210319	DKFHEPRMXSRQNE-OVVQPSECSA-N	494.573	3.254	50	40	JGGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2cc(Br)ccc21	20326317	DBTIFPJLWCZMOA-CLCOLTQESA-N	458.360	3.404	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1	22942596	VIOAYZBEDORQBP-ZMOGYAJESA-N	479.806	3.379	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	409273439	YABZXBLGILJOHV-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1O	409384698	FKTPYXCSGLBENX-AUWJEWJLSA-N	451.264	3.491	50	40	JGGB	
CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	1699292	SUYDMLDXAOBPDP-VWZAPPJTSA-N	483.399	3.014	50	40	JGGB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CCC(c2ccccc2)CC1	9140283	IJKQPEJZBYVOAH-UHFFFAOYSA-N	469.607	3.470	50	40	JGGB	
Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1	10994121	ZSJQQBXIBKSGJL-UHFFFAOYSA-N	453.568	3.059	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc(-c2cccs2)n1C1CC1	14241420	QNJZVBWRDUWPIN-UHFFFAOYSA-N	463.972	3.313	50	40	JGGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235312	FJSKWDHWQGXXGF-NWZXOKCJSA-N	457.442	3.035	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1	58872734	APUTXWAQEANKKV-CVKSISIWSA-N	457.490	3.433	50	40	JGGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941666	QCFSKCISGVVGBX-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)c2)cc1	409263989	JUOSHJKCGFYBRP-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CNc3ccccc3)cc2)cc(OC)c1OC	9633408	BOXFVYHRYZIIAX-JFLMPSFJSA-N	463.490	3.494	50	40	JGGB	
O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2	9963787	QUQOJUQOONVGPJ-UHFFFAOYSA-N	493.935	3.001	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1	19947662	YWDSAFDLBKFNIY-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
C/C(=N\NC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)OCO2	20159468	MTHMHUYDVHLNOM-AOEPBBORSA-N	455.492	3.236	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	20212935	UGRJNOVEYAOTDY-AWQFTUOYSA-N	459.311	3.126	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1	20214839	SDOGMVSMMMIGKW-FIKYGGOLSA-N	490.969	3.210	50	40	JGGB	
Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2Br)c(C)c1C	21006025	YBWQCORXYZRCKD-UHFFFAOYSA-N	496.427	3.121	50	40	JGGB	
CCOc1cc(C(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc(OCC)c1OCC	96696473	IOCOFAWSOZPJOS-ULJHMMPZSA-N	464.515	3.333	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1Cl	408667782	RAAZJKJFZQDIDY-UHFFFAOYSA-N	485.846	3.472	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408785881	JDLXNLSEDZLSLS-CVKSISIWSA-N	483.521	3.266	50	40	JGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc2c(cc1Cl)OCO2	409256144	OCIOYEFLHUIWOC-IFRROFPPSA-N	457.655	3.236	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1C	409266841	LIDLOOQKOMOUAD-KWJLSGNOSA-N	458.946	3.339	50	40	JGGB	
COc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccccc3C)c2)ccc1OC(F)F	2797918	GJHUJSOSOGJENV-UHFFFAOYSA-N	461.494	3.481	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	8934266	QDFHYAOQAYJQDG-MVDPLZLPSA-N	498.391	3.207	50	40	JGGB	
CCCCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2cc(Br)ccc21	9065082	RGUXUZMFLUFYIW-GREXYARLSA-N	458.312	3.256	50	40	JGGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCn3nnc4ccccc4c3=O)c2C)cc1	9960820	RMMNHCUZUXZXPK-CPNJWEJPSA-N	455.474	3.316	50	40	JGGB	
Cc1nc2ccccc2c(=O)n1[C@@H](C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1	32809656	NVOCPKUUPDMKDH-KRWDZBQOSA-N	456.502	3.159	50	40	JGGB	
O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NNC(=O)C[C@H]1SC(=O)NC1=O	36633757	YWJNDBCNENWGCO-CQSZACIVSA-N	467.334	3.169	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2cccc(Cl)c2)cc1	408784146	SOBOWUKKFBSKCG-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)cc1	408906552	HEYRKXIOFHGTTL-WPWMEQJKSA-N	492.557	3.252	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	409271156	KEAWGFAHUXHXBS-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	2507023	RWSMJQOACDJBFB-VBKFSLOCSA-N	461.590	3.199	50	40	JGGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770072	GNCKPTOKIWISKW-AZUAARDMSA-N	492.532	3.283	50	40	JGGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)[C@@H](C(=O)OC)C(=O)N1	9319277	DPVCFSFCEHWVAQ-LEWJYISDSA-N	467.522	3.498	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1S(=O)(=O)NC1CC1	10735850	LFXJLAMQVSZSQK-UHFFFAOYSA-N	489.550	3.078	50	40	JGGB	
C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	12584160	JUJLWMHYYWIECY-AWEZNQCLSA-N	461.590	3.491	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2sccc2C)cc1	15229945	MFOAIZHCEGPEGD-PCLIKHOPSA-N	498.630	3.399	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)Nc3ccccc3)c2)cc1	16219326	HNUHPHZGEFVUKX-UHFFFAOYSA-N	456.549	3.127	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1	19956141	LDIVTXYWQMERBM-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	20059685	FEPKTMJGJGXPMZ-PCLIKHOPSA-N	481.530	3.321	50	40	JGGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	58880937	JWJHTNNJNQAYPC-MZJWZYIUSA-N	462.506	3.187	50	40	JGGB	
N=c1nn[nH]n1CC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408734687	BYBGWUNQRBQLLF-TXNBCWFRSA-N	489.150	3.429	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	409027126	AIKZCSNXCVERLS-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1OCC	409027333	AKKNFWFOCGXUQO-LFVJCYFKSA-N	461.584	3.353	50	40	JGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1	409186881	JBGWXCJBPAZKJH-SRZZPIQSSA-N	466.275	3.386	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1OC(C)=O	409337849	XRZCHSSHQKNWTL-MZJWZYIUSA-N	473.485	3.248	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1OC	1088954	MMVVECKSXQZUEE-LSHDLFTRSA-N	488.298	3.383	50	40	JGGB	
N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1	12276786	FVSCIFJVDWYTDM-INIZCTEOSA-N	453.436	3.214	50	40	JGGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1OC	59516064	OYOPRBFHUOGILZ-RDRPBHBLSA-N	475.545	3.482	50	40	JGGB	
N#CCn1cc(/C=N\NC(=O)COc2ccccc2I)c2ccccc21	107760509	LEHLOYNZIVKOPU-JJFYIABZSA-N	458.259	3.299	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccn2)c(C)c1	107952759	ZEBOVUASTSDDJH-PKAZHMFMSA-N	464.591	3.391	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(OC)c2O)Cc2ccccc2)cc1C	108214079	PZXLYJYVKSWCHN-YSMPRRRNSA-N	497.573	3.059	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408608316	PBBNJNCWZYAMTQ-WYMPLXKRSA-N	482.762	3.284	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccc(Cl)cc1	408665095	TZJMMMNWTUUXKO-UHFFFAOYSA-N	453.882	3.216	50	40	JGGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)c1ccccc1	408778249	ROTUNNPAHXPSDG-CIAFOILYSA-N	462.325	3.285	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1C	409158203	KOHTWSDDRZEYPF-LGJNPRDNSA-N	458.946	3.341	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)c1	409166420	DPZNRFFLOZRCKB-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	409264646	QPGCAZFSWZSYBX-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cccc(OC)c1O	654677	VYRAZLFMIOBTFO-DHRITJCHSA-N	466.567	3.341	50	40	JGGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O	12753478	UKJUNGUMJLSVMR-UHFFFAOYSA-N	488.875	3.102	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C=C(c2ccccc2)[C@](O)(c2ccccc2)C1	15905845	CKSGHQSLASUKRL-SWBNBEOJSA-N	450.502	3.187	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19926417	BDKKOITVDWMWSK-WGOQTCKBSA-N	495.557	3.136	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cccc(Br)c1	20060527	PHYUHOJJDFENGJ-WSDLNYQXSA-N	476.352	3.224	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1	408607841	FEXOHBVCKNINLB-ZMOGYAJESA-N	462.344	3.403	50	40	JGGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2	408824894	BCUYIVKJQPLXPV-MFKUBSTISA-N	485.949	3.457	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	408921111	DKFBLIJDVZYAQQ-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921251	ABRYHJIHBBHVGL-BUVRLJJBSA-N	467.503	3.185	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1	409029139	XTEZVEAYOYGGJE-PCLIKHOPSA-N	465.531	3.293	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1	409252428	BQNLBSDFFSLHSJ-LQKURTRISA-N	490.491	3.497	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1	2628970	GSTNHBRFGXUVDI-UHFFFAOYSA-N	474.366	3.107	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	8934267	QDFHYAOQAYJQDG-WAGPWIPHSA-N	498.391	3.207	50	40	JGGB	
Cc1ccc(CNC(=O)CCC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	9851549	BWYZMQKNKKVNSM-UHFFFAOYSA-N	465.350	3.483	50	40	JGGB	
N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	12276782	FVSCIFJVDWYTDM-MRXNPFEDSA-N	453.436	3.214	50	40	JGGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccccc1	20230599	XCDSOFQHFOYYDD-QFIPXVFZSA-N	487.585	3.358	50	40	JGGB	
CC(C)Oc1ccc(-c2n[nH]c3c2[C@H](c2cn(CC(N)=O)nc2-c2ccccc2)C(C#N)=C(N)O3)cc1	22754899	JIVXPSDLXDKQQF-QFIPXVFZSA-N	495.543	3.431	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NN/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1	32735807	BQFORVCRNLLDAV-PXLXIMEGSA-N	468.513	3.399	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccco3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100774925	MYCWFHZIAKFKJN-NTYVSSCFSA-N	463.527	3.427	50	40	JGGB	biogenic
COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408773643	SLULQHINOFVYEA-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1	409158881	ZISBMFWFCDNZLV-BHGWPJFGSA-N	489.370	3.058	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1	409160398	YCNUWFKZLJJWLL-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409223960	JNNXCZKLGHZVTL-QRVIBDJDSA-N	464.390	3.495	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	409270956	IWMKZNORGZJKDF-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc(O)cc2O)c(Br)c1	1051688	DVXWDRSUWXLNHU-IFRROFPPSA-N	457.122	3.493	50	40	JGGB	
CCCc1c(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N	1808866	XELPMXGDNYYGFI-BRJLIKDPSA-N	468.562	3.250	50	40	JGGB	
CCOc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1O	9355254	KTHVRVQZTOIVDM-AWQFTUOYSA-N	452.261	3.299	50	40	JGGB	
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36020495	XKCYSOAPXBVAOR-KEBDBYFISA-N	496.261	3.082	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1	59401608	AFUJNHZGOCVQRE-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
CC(=O)Oc1ccccc1P(=O)(c1ccccc1OC(C)=O)c1ccccc1OC(C)=O	101601139	UWZYWSQSXCMOHY-UHFFFAOYSA-N	452.399	3.102	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1)Nc1cccc(Cl)c1	409151916	IPHKHJSGUQCIPZ-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409161516	YKYGYNHQVRUSHQ-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1Br	1266446	ZELGRMMRYOIXBG-AUUYWEPGSA-N	472.339	3.325	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(O)c1	8714037	PTWIZJCMWNUNOJ-ATVHPVEESA-N	475.979	3.488	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccoc2C)ccc1Cl	12822809	LJGCZAIRYVTPKL-UHFFFAOYSA-N	463.899	3.126	50	40	JGGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	48524228	OBHKLEIDBYUHEJ-HZHRSRAPSA-N	453.476	3.364	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1	101222212	GIGGVSCJVXCAMW-ZZAWEDPDSA-N	498.564	3.319	50	40	JGGB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)cc(OC)c1	103918351	AYTIPKHGRGNHCE-STZFKDTASA-N	467.482	3.323	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408608834	PXNBHPKESZJIKK-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O	408862116	FMKJZYYJTVPGEG-VULFUBBASA-N	486.569	3.467	50	40	JGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccccc1	408999203	PWTFLFHSTNNJRP-FZJZADEZSA-N	492.326	3.240	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C2\CCc3ccccc32)c1-c1ccc(Cl)c(Cl)c1	9190906	ZADUTLDMZLCMNZ-BUVRLJJBSA-N	469.292	3.287	50	40	JGGB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)CC1	9292060	UKOQDFKQKRMRLP-CAPFRKAQSA-N	491.592	3.138	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1	13921611	BQYMMNZGEVZMKR-SRZZPIQSSA-N	450.289	3.041	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)cc1	17445620	YUVLCGFVEIVKOX-UHFFFAOYSA-N	499.614	3.210	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	19948088	NRECLYSZBMMBSN-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CC(C)(C)c1ccc(OCC(=O)NN[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1	35682781	JJYGFUNOVWTOSL-HXUWFJFHSA-N	454.571	3.026	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(C)=O	409219727	UGIRCMMOPZKAIZ-UHFFFAOYSA-N	461.474	3.256	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)ccc1OC(C)C	958306	OLIWNTUYPBECDU-OPEKNORGSA-N	454.552	3.283	50	40	JGGB	
CCOc1cccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)[nH]n2)c1	2590755	KDFJUADUCDDDLH-UHFFFAOYSA-N	454.284	3.324	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc1OC	2700176	PLHFMKJXHZXHNX-HSZRJFAPSA-N	473.485	3.169	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	20207202	CCLGZKBNTBOPGA-AFUMVMLFSA-N	472.954	3.398	50	40	JGGB	
Cc1cccc(Cn2cc(NC(=S)NNC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cn2)c1	22710748	XLKHCQGXGBOSCQ-UHFFFAOYSA-N	474.594	3.339	50	40	JGGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(-n2ccnc2)cc1	24977010	PDGRJWUVEAIIEB-UHFFFAOYSA-N	495.948	3.401	50	40	JGGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(F)cc1	108040012	BANOFLXNVPOPHU-WGARJPEWSA-N	480.452	3.453	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc(O)cc1	408737438	ASBPLZIIBXKMBY-REZTVBANSA-N	461.053	3.229	50	40	JGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1	408832514	XJQRBFOTBJCVJL-NLRVBDNBSA-N	464.547	3.381	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Cl)c(Cl)c1	408922387	ABPJHAIORCUKAY-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1	408996956	CEAGYFJPBBZDCV-NFCNUSAFSA-N	455.511	3.172	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1O	1294061	TYXOLCFFVVSWIS-AFUMVMLFSA-N	460.515	3.342	50	40	JGGB	
NNC(=O)C12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@@]1(Cl)[C@@]53Cl)[C@@]24Cl	1680132	HGXWKYRLAUNUAN-LIRVHSTGSA-N	486.224	3.048	50	40	JGGB	
N#CC(C(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])=C1Nc2ccccc2N1	9127690	GCWUKOJAAOXOEC-UHFFFAOYSA-N	461.356	3.411	50	40	JGGB	
Cc1cccc(C(=O)NN2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	9591546	IQFBYABLAVYBCA-IEBWSBKVSA-N	460.889	3.051	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	12683250	WSNGTAHSIHPUCI-UHFFFAOYSA-N	473.938	3.249	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1COc1ccc(F)cc1	13514155	LEWFZLABEBYXRF-KTZMUZOWSA-N	491.270	3.021	50	40	JGGB	
N#CC(C(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)=C1Nc2ccccc2N1	14120736	ABQBNPMOXQIXBE-UHFFFAOYSA-N	494.573	3.179	50	40	JGGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	15529458	JODFLPPQRCLCOA-UHFFFAOYSA-N	470.378	3.172	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccccc2)cc1	59444253	FJVLIVSPWVAQPH-MFKUBSTISA-N	465.531	3.034	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1	408997560	HEQBBAQNXRYNAZ-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccs1	409112781	DAHLHJXVGWOSKO-BUVRLJJBSA-N	489.550	3.394	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1	409171288	ZMKWZVWJVFAOSF-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)ccc1OC	409309120	BTMIWRZOYWLEOZ-KSEXSDGBSA-N	450.875	3.373	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OC	409319911	NOLXPZYDHACJIC-NHDPSOOVSA-N	484.290	3.480	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2	2254248	JFRJIIOJMOYMFJ-QFIPXVFZSA-N	482.581	3.133	50	40	JGGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC	8811170	GIPFQNKABDWEKG-WYMPLXKRSA-N	464.902	3.462	50	40	JGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C	9127823	YPSPAVZARVHUKE-RCCKNPSSSA-N	498.605	3.388	50	40	JGGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)c2)cc1	9338128	QSEAHEYCWMHSMP-UHFFFAOYSA-N	493.520	3.195	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=S)NCCc3ccccc3)c2)cc1	9508653	FBXPIGAVSPCSCM-UHFFFAOYSA-N	498.630	3.238	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc(OC)c3)cc2OC)cc1	108011814	YUDWKPUZKVJELT-YSMPRRRNSA-N	463.490	3.494	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)COc2ccccc2)cc1OC	408528793	WLGTUCPYXNOWDI-RGVLZGJSSA-N	454.264	3.228	50	40	JGGB	
Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1Cl	408647605	VJKPIIMFZJDPSZ-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccc(Br)cc1	408661763	CISVOWFKMXUUBQ-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Cl)c1Cl	408851898	BIMWEGLDWUOLLH-FUWURINLSA-N	459.314	3.446	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2ccc3c(c2)COC3=O)o1	408973682	OKTNJUUZXXASJZ-YSURURNPSA-N	462.853	3.074	50	40	JGGB	
COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC	409006059	LNFLLCYKSJUXBA-AFUMVMLFSA-N	459.930	3.368	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O	409329651	HCALMYKDUUYUOD-UHFFFAOYSA-N	463.003	3.183	50	40	JGGB	
CC(=O)Nc1ccc(/C=C/c2ccc(N=C=S)c(S(=O)(=O)O)c2)c(S(=O)(=O)O)c1	1590501	JHOKKBDKGXRSTJ-DUXPYHPUSA-N	454.507	3.043	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	2318411	QDFHYAOQAYJQDG-LOHYDARVSA-N	498.391	3.207	50	40	JGGB	
COc1cc(C(=O)N[C@@H](C(=O)N/N=C/c2ccc(Br)cc2)C(C)C)cc(OC)c1OC	3203129	KIYDKGJXFSBDLT-QVHMZZSFSA-N	492.370	3.380	50	40	JGGB	
CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cc(OCC)c(OCC)c(OCC)c1	3864905	WQGMWRASXJANSN-CVKSISIWSA-N	457.527	3.162	50	40	JGGB	
COc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1	9191537	TZFDEDPVTBAHQM-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
O=C(CSc1ccccc1C(=O)NNC(=O)c1ccncc1)NC12CC3CC(CC(C3)C1)C2	9509479	RNRIBJFKCOHPBO-UHFFFAOYSA-N	464.591	3.334	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1	58880788	PQXTUWQGXOSLQZ-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cccc2OC)cc1	408611985	SZNAKLBWCMKYSP-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1	408686610	SDPPZUVAOJUAGU-XVMGYKCHSA-N	485.334	3.457	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(CC)cc2)c(OCC)c1	409171200	YRZYBTWKDRBTII-MZJWZYIUSA-N	488.972	3.295	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	1089323	PQFUJRKMJZRVIP-SSDVNMTOSA-N	471.315	3.432	50	40	JGGB	
Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc2c1C	9381851	KOGKGNMJMNFMAC-HUUCEWRRSA-N	474.608	3.468	50	40	JGGB	
CCOc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	20233475	DTHBAVKMIHWSKZ-UHFFFAOYSA-N	479.002	3.132	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccc1C	24455343	VKGIIOKQEDBKRH-UHFFFAOYSA-N	492.557	3.289	50	40	JGGB	
C#CCOc1ccc(/C=N\NC(=O)N/N=C/c2ccc(OCC#C)c(OCC)c2)cc1OCC	34876749	XUUYWDOUZUBHCM-JTXLREJOSA-N	462.506	3.175	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1O	59488252	HOONVQYMJFCYJZ-AWQFTUOYSA-N	487.681	3.138	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1O	59720757	SUPWXHOORSNZLU-DNTJNYDQSA-N	457.122	3.488	50	40	JGGB	
COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)cc1	408683297	LCADLTCPSWNXIC-PJBUMPDVSA-N	485.334	3.457	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1OC	408781525	UCVKFLAKEIWSHJ-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1C	408923853	HJHAMEOVCIVBSF-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(C)cc3)c2)ccc1OC(C)=O	409226409	VWJNCJASBIVUFW-UHFFFAOYSA-N	461.474	3.256	50	40	JGGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1	409249408	HYPIPDSLJNULRY-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1c(C)cccc1C	409249500	JKCXTAXJGNTFAT-NEOOYVHHSA-N	468.554	3.084	50	40	JGGB	
O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)NNC(=O)Cc1ccccc1	651114	GZDWNRDCMBASDU-UHFFFAOYSA-N	457.559	3.476	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccncc3)nc3ccccc3c2=O)cc1	9076073	BYDLZGPFSCYRRF-JVWAILMASA-N	459.531	3.422	50	40	JGGB	
COc1cccc(OC)c1/C=N/NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1	9762235	QQWAGBXTWNUNEY-PCLIKHOPSA-N	473.595	3.486	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	19952268	KANGRDZVJKAJNG-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccc(Br)cc1	408774241	YNMGYUYMLFOJFM-VXLYETTFSA-N	489.189	3.128	50	40	JGGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(Br)o1	408972987	QZOBOBGHWYTPNH-RSFOSLOZSA-N	450.333	3.411	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cccc(Cl)c1C	409255311	HFJHMUINUFVRSG-PBEVGHANSA-N	488.972	3.429	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1ccccc1F	9110875	NZNMXHSYWMTHAM-RTBURBONSA-N	457.458	3.074	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1CSc1ccccc1	9424402	BTWLKALXFBOMOS-KIBLKLHPSA-N	488.455	3.308	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1O	19949898	GHIGIEPEQCALQS-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1OCC	20213650	HYLQOCWPEFMDJN-WPWMEQJKSA-N	494.573	3.391	50	40	JGGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	23410695	PCPVBXWUJYBCJF-BUVRLJJBSA-N	466.519	3.244	50	40	JGGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1	96936210	QHRGYPXYIPOVFN-UFFVCSGVSA-N	474.340	3.260	50	40	JGGB	
Cc1cccc[n+]1[C@@H]1[C@H](c2ccc(Br)cc2)C(C#N)=C([C-](C#N)C#N)N[C@]1(O)C1CC1	100023476	BUIVVPFEMFIUSN-JRFVFWCSSA-N	474.362	3.471	50	40	JGGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1	408721090	KIMIBVFSXCMEFB-MZJWZYIUSA-N	481.472	3.038	50	40	JGGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1	408750257	YSQVHFDFQJKAEF-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408787605	CNNJYCHHKJRVLT-NTUHNPAUSA-N	460.240	3.455	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)c(OC)c1	408958598	ZKEZWUMVJRHHRH-ICSSRQHBSA-N	492.532	3.080	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2cccc(Cl)c2)cc1	409068071	KBBJTUMDOLVGMF-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	3058931	OWICWGOFYUFIBP-YDZHTSKRSA-N	464.390	3.495	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21	6166508	ASNJZKYNHGCEGV-GDOBZGOFSA-N	477.590	3.421	50	40	JGGB	
CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1	8427247	FYOGNADCOHPXCH-BFTFCADCSA-N	496.524	3.352	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8450442	BYHKXPXLTQZIGZ-IMEWXKHHSA-N	479.537	3.041	50	40	JGGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCN(Cc4ccccc4)CC3)=C2C#N)cc1	14111295	PAMGZHXRONLJOA-QFIPXVFZSA-N	460.603	3.411	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1cccs1	408724846	BRTYOIWAOUJSLW-RCCKNPSSSA-N	458.521	3.392	50	40	JGGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	409120904	ULHNIUISBXQXJW-LPYMAVHISA-N	476.352	3.383	50	40	JGGB	
COC(=O)/C(C#N)=C/c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O	2201213	WYGJZVNLQYWHMG-GHRIWEEISA-N	463.925	3.063	50	40	JGGB	
Cc1ccc(C(=O)NN2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	9591523	CQTCDIXTMYKLJS-IEBWSBKVSA-N	460.889	3.051	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	16691607	KZJXQURRMIBMQW-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
C=CCNC(=S)NNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	24749093	HGIQWOXBUQKGFD-UHFFFAOYSA-N	459.380	3.089	50	40	JGGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Br)cc3)CC2)c1	59953140	JSIWZMPRRLTRTQ-ZVHZXABRSA-N	474.355	3.469	50	40	JGGB	
O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)/C(O)=C/C(=O)c1ccc(Cl)cc1	100792341	OCPVWURNPSDGLX-QNGOZBTKSA-N	450.878	3.048	50	40	JGGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O	408646270	IMPZQAAUENCTCH-QGZVFWFLSA-N	461.833	3.121	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(Br)cc1	408767556	MNBGRFZRRPKKDI-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	408769081	NIMPHNSPQBPLTM-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)OC	408777308	YEEKKGBWNMBVBC-JWGURIENSA-N	475.545	3.231	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc(OC)c1OCC(=O)O	408847995	XRBCSRPIDSJZLF-CCKNHRKNSA-N	457.490	3.095	50	40	JGGB	
C[C@H](C(=O)N/N=C/c1ccccc1C(=O)O)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025533	WSAOFKBKUZQYGO-GZPJKGAFSA-N	481.530	3.482	50	40	JGGB	
NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1	409256757	PQZNUFAHXZQWLY-YXSASFKJSA-N	489.551	3.493	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1	409258958	YLVHCCXBXPTDSX-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
C[C@]1(CCCOc2ccc(NC(=O)CBr)cc2)N=C(N)N=C(N)N1c1ccccc1	1703066	AZJOPDARGQVOJR-NRFANRHFSA-N	473.375	3.045	50	40	JGGB	
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccccc1O	1960422	WTZZRLHICDTIQK-RGVLZGJSSA-N	451.264	3.174	50	40	JGGB	
Cn1cnnc1SCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	2393422	DCPIWKMQZGZSGR-UFFVCSGVSA-N	460.357	3.399	50	40	JGGB	
N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1	9375605	MMSKIFCVNZRUGY-XUTLUUPISA-N	482.588	3.377	50	40	JGGB	
COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)ccc1OCCC(C)C	16203606	YJQRPHBNQDXIBW-KRWDZBQOSA-N	469.538	3.085	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20207410	VFGKCEKXQAJUJQ-NLRVBDNBSA-N	464.547	3.245	50	40	JGGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1	20274639	FZDQPZVOWXVNSB-XMHGGMMESA-N	463.515	3.467	50	40	JGGB	
CC1=CS/C(=C(/C#N)C(=O)CN2C(=O)c3ccccc3N3CC(=O)C(c4nc(C)cs4)=C23)N1	102566555	IMPFHTPZKDBWJN-HKWRFOASSA-N	475.555	3.167	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	245239271	HAHWMQFIDWVHBU-QRRKJMNASA-N	453.580	3.055	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408784649	VPLNPDZUHFTNGJ-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(O)c(I)c1	408799933	JLRJJXXEIQSKIG-OPWUTIMJSA-N	496.086	3.423	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1O	408868627	PMEVISXTHXWMHI-FZJZADEZSA-N	486.377	3.401	50	40	JGGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408888521	WOBOSCGMMGLRCI-UFWORHAWSA-N	468.220	3.459	50	40	JGGB	
O=C(COc1ccc2c(c1)CCCC2)NCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409150814	DWIRRUSBOPLBML-CCVNUDIWSA-N	475.501	3.169	50	40	JGGB	
CC(C)c1c(C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)nnn1-c1nonc1N	2376746	PNINRUVBHJNROM-NSKAYECMSA-N	498.906	3.491	50	40	JGGB	
Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NNS(=O)(=O)c1ccccc1	13955613	GHAZUWQDKLODOR-RUZDIDTESA-N	488.569	3.421	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC	20499707	TYGNZBFFYWQXGK-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)Nc1ccc(F)cc1	28214695	KXLOWBQYLGITOA-STBIYBPSSA-N	490.535	3.439	50	40	JGGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	59401635	PKLSGVFXTZKTTK-BUVRLJJBSA-N	461.971	3.210	50	40	JGGB	
CCC(CC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	59443743	TYXLEHZGGCUIBN-UHFFFAOYSA-N	458.584	3.171	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccc(Cl)cc1	138839320	RQEUSQOPCUPLTL-UHFFFAOYSA-N	453.882	3.216	50	40	JGGB	
O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/[C@@H]1C=CC(N=C=S)=C[C@@H]1S(=O)(=O)O	145087717	MWJNUFGPCDQGAP-OZWXEBHSSA-N	456.548	3.110	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)c1	408857002	JALYQUXHZCXKIN-WGOQTCKBSA-N	495.557	3.120	50	40	JGGB	
Cc1c(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1	408895749	VOZPXJJBRKLLFZ-FSJBWODESA-N	480.377	3.404	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408922646	DARQFOCGUJEKKO-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	409151477	HCASYGCLFPNPOE-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)c(C)c2)cc1	409343435	HKMSMBCGPABRFF-AZPGRJICSA-N	490.585	3.304	50	40	JGGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1O	695492	ILUJXEZOVAYIFV-WYMPLXKRSA-N	452.540	3.038	50	40	JGGB	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)cc12	3436351	WAALWBBNVRTHOM-UHFFFAOYSA-N	492.948	3.419	50	40	JGGB	
O=C(NNC(=S)Nc1ccccc1Cl)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	9396726	ZVBFCQFMQBVEBF-UHFFFAOYSA-N	454.895	3.361	50	40	JGGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)Nc3ccccc3)cc2C1	12521230	OJXDOBKBNXAUNE-MRXNPFEDSA-N	463.625	3.492	50	40	JGGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1cccc(I)c1	13381845	XSMPTKABNUXHOX-CIAFOILYSA-N	451.264	3.434	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59427935	IGWXHRLMPNCQAS-NLRVBDNBSA-N	465.575	3.387	50	40	JGGB	
COc1cc(/C=C/C(=O)NNC(N)=S)cc(Br)c1OCc1cccc(C)c1	62715514	DUVADMQVYXWYPX-VOTSOKGWSA-N	450.358	3.223	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(Br)cc1	408772404	LJVWPWFWNYMXLM-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1	409265872	WKYIKHZBZQCRAQ-FDAWAROLSA-N	486.572	3.272	50	40	JGGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(N(CC)CC)cc2O)sc2c1CCC2	1868992	ZPAMIDQZZVNTAO-ZMOGYAJESA-N	472.567	3.054	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cccc(I)c2)cc1	8856260	ZTAJBWYSHJDBHL-ZMOGYAJESA-N	492.317	3.313	50	40	JGGB	
COc1cccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1OCc1ccccc1	16228263	ZVKFXYCGVJLYKH-CCVNUDIWSA-N	497.515	3.406	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccccc2)cc1	409027661	NWMGQGUKORFRGV-YZSQISJMSA-N	479.558	3.381	50	40	JGGB	
COc1ccc(CC(=O)N[C@@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	409153584	LUSOELVQWSCOAG-MMDHUZEPSA-N	464.478	3.369	50	40	JGGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O	9227350	MRFSWDGJQZFDGT-RYQLWAFASA-N	470.526	3.230	50	40	JGGB	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)COc1ccccc1Cc1ccccc1	12815772	LRULBLZKWOXKHO-IBGZPJMESA-N	461.518	3.119	50	40	JGGB	
O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cc(-c2ccccc2)n[nH]1	17519111	UBFUBMLLXIBRMC-KRWDZBQOSA-N	451.914	3.044	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1	19952193	HOIWCELETCNCPG-UHFFFAOYSA-N	498.948	3.017	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1	408609209	JRTZHKTYZSKOLK-JMJNUIHMSA-N	459.930	3.063	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)c1	409152114	JNUSUCBRSURQDW-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409162863	IVARKLNHRWUJHO-PITUFAOZSA-N	481.144	3.420	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	9465343	XADRELFCJYOAAG-RCCKNPSSSA-N	491.573	3.056	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)/C(C#N)=C/c2ccc(OC)cc2)ccc1C	12571677	VVVKPRSPXAQBIK-CPNJWEJPSA-N	485.562	3.123	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccccc1F	59247153	ZGVWFCATDYXOET-YUMHPJSZSA-N	455.530	3.314	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1O	59427942	YRWVHXIRKJQPMT-YZSQISJMSA-N	481.574	3.093	50	40	JGGB	
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)C2CC2)cc1	100838077	YRMQUXKRACSHCV-QTJGBDASSA-N	474.362	3.471	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cccc(C(F)(F)F)c2)cc1	408830425	RRBVCBHCTSXQQQ-UHFFFAOYSA-N	482.528	3.407	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)c(C)o2)S(C)(=O)=O)cc1	408921099	CZKAQJWPHVLYBE-ZICWZVMQSA-N	472.361	3.054	50	40	JGGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	409169393	QCPFLNXMFWPEAD-BRJLIKDPSA-N	450.451	3.117	50	40	JGGB	
CCC(CC)=NNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(I)cc1	8403641	LHFOWXVGVQNYQX-INIZCTEOSA-N	479.384	3.276	50	40	JGGB	
CCOc1c(Br)cc(C(=O)NNC(=O)CCc2ccccc2OC)cc1OC	9440448	HATFWJCHOSIKSM-UHFFFAOYSA-N	451.317	3.259	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1	16249948	RCSWDTQGLFHLLG-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1	20059785	VDZNSXNCKAJEFK-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
CCn1c(NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccc2c1=O	22699884	SEFKFMZDRHPPAB-UHFFFAOYSA-N	481.509	3.113	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c1	409160177	WEFBQDYRLCYGFI-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O	4212008	GBPZYMBDOBODNK-LEWJYISDSA-N	488.456	3.112	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Br)c2)c1CSc1ccccc1	9424517	GPDHKWBUMHSCDZ-LSHDLFTRSA-N	499.354	3.051	50	40	JGGB	
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NNC(=O)c1ccc(F)cc1	20865624	AEHFTQSFJOIPEM-UHFFFAOYSA-N	462.510	3.081	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1O	100242273	GBZCIXUFBNWIFV-FOKLQQMPSA-N	463.865	3.371	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408771584	JJZOHHKSGMUSQW-MFKUBSTISA-N	469.494	3.097	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1	409173261	OHSWVISGMUAROX-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409236286	DDMGLNFIIRYPNE-MLPAPPSSSA-N	475.255	3.047	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1	409247392	BYKIFCAIYSPOJD-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(F)cc1	409257478	PKYCMDPLUGIABD-LGJNPRDNSA-N	452.417	3.071	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409266241	PZRVZJYAWPYNJG-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	409270917	RYFRTEMNZMPILR-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O	4773648	GBPZYMBDOBODNK-NHCUHLMSSA-N	488.456	3.112	50	40	JGGB	
CCCN1C(=O)/C(=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2cc(Br)ccc21	9019318	INVBYIYJIIVDKM-RELWKKBWSA-N	461.272	3.013	50	40	JGGB	
N#CC1=C2N(N=C(N3CCOCC3)N2c2ccccc2)C(=O)N[C@]1(c1ccccc1)C(F)(F)F	9613508	NNMVSDLLCMNZSV-QFIPXVFZSA-N	468.439	3.328	50	40	JGGB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1	9631373	TWDMZPQSCWPWPN-ZKDIOSGISA-N	451.523	3.390	50	40	JGGB	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	9913453	SPAOATDKWNHOAG-KRWDZBQOSA-N	488.569	3.312	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	19947936	GYZCPLGUEYUPTC-PCLIKHOPSA-N	465.531	3.266	50	40	JGGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	59435382	GWXBRFRJIGASJT-LPYMAVHISA-N	476.352	3.383	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	59443821	NDVGFRJWWDJHGV-YZSQISJMSA-N	481.574	3.093	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(I)c1O	108237423	IEZFIWFMNNUXTB-KEBDBYFISA-N	467.263	3.118	50	40	JGGB	
COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3C)cccc2OC)cc1	408612448	VLVFSRRISWMPNJ-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C	409156692	UCQVHNMEYLJYRN-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C	409159674	RTWHJGDXPURRGO-KIBLKLHPSA-N	495.363	3.303	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409257997	SMXUCENOYYNZNE-CCVNUDIWSA-N	492.532	3.079	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1OC	409319233	CJIMMJKWIHOYBG-KSEXSDGBSA-N	450.875	3.373	50	40	JGGB	
O=S(=O)(O)c1cc(N=C=S)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34	2575106	HVTTVIRJVMCXFL-UHFFFAOYSA-N	499.525	3.058	50	40	JGGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)cc(C)c2O)cc1OC	9289529	OQZILAMWCKZDQA-KEBDBYFISA-N	454.264	3.015	50	40	JGGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3c(F)cccc3Cl)CC2)cc1OC	408971857	MMHAMCMKFJGAPZ-ZMOGYAJESA-N	483.949	3.047	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)c1O	2320394	ZCPKMHUPPVUETC-UFFVCSGVSA-N	476.356	3.201	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1)NC[C@H]1CCCO1	14166116	NPYCGQCNBPTNNH-KSRKCLLLSA-N	475.998	3.398	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2)cc1	15229964	XYTQNBGYAUJZCI-JZZXMACJSA-N	476.558	3.457	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	19926327	NBABKPIMPPQWDU-MFKUBSTISA-N	485.949	3.472	50	40	JGGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	34910384	QAJGEIYILAKQIM-JJFYIABZSA-N	494.298	3.001	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Cl)cc1	408664012	IPMSQGWITGKMDX-UHFFFAOYSA-N	485.846	3.472	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1	409271228	KTVTWQZDAIUWQX-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2	13010262	LIBNDWXOLXERCZ-GOSISDBHSA-N	459.930	3.108	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1	19947917	JMUVSOGEOGTSGC-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OC(C)=O	408752709	JOYANWJJPCEREH-SRZZPIQSSA-N	482.274	3.388	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2F)cc1	409006320	NBIVCMMTXZYXOX-AFUMVMLFSA-N	455.511	3.181	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409227174	SYTXUBIUSAKJJZ-NVNXTCNLSA-N	456.886	3.167	50	40	JGGB	
CN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c2cc(Br)ccc21	2311164	KHGWRHWEBOAQDE-SMKFHGBISA-N	472.339	3.383	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3c(OC)ccc4ccccc34)nnn2-c2nonc2N)cc1	2343292	VMRUFJCVWDCSEC-MZJWZYIUSA-N	498.503	3.224	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@H](NC(=O)COc2ccccc2C)C(C)C)cc(OCC)c1O	8461751	UYIJZWPFUBHLIH-CYUILNSLSA-N	467.566	3.498	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1	9428150	OXITTXRBNMETIU-YHKHTGOESA-N	473.533	3.252	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1	19953747	DTQYTGQVIRXJOH-HADWXUJASA-N	468.373	3.153	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccccc1)Cc1ccccc1	33737627	QLVRVTJZIQNBOR-XYGWBWBKSA-N	451.548	3.345	50	40	JGGB	
Cc1ccc(C)c(N2C(=O)C(=O)[C@H](c3nc4ccccc4o3)/C(=N/NC(=O)c3ccccc3O)C2=O)c1	104278180	QMLXIABJHHORSX-XLQWAHJQSA-N	496.479	3.162	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)c1	408776395	ODJFSAYGGKUPMO-XIEYBQDHSA-N	467.547	3.445	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(Cl)cc2)cc1	408924493	JHLUEXKZMPEVDR-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
Cc1nn(Cc2ccc(C(=O)NNC(=O)C(C)(C)Br)cc2)c(C)c1Br	654644	XNPVPFOXLBEVGY-UHFFFAOYSA-N	472.181	3.245	50	40	JGGB	
Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	2618432	LMKUOADOXDVZBZ-UHFFFAOYSA-N	489.513	3.156	50	40	JGGB	
Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2cc(Br)cc(Br)c2O)cc1	5733329	UJYUMVVFXITEMN-STQMWFEESA-N	489.551	3.335	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1ccccc1F	9360395	NZNMXHSYWMTHAM-OALUTQOASA-N	457.458	3.074	50	40	JGGB	
O=C(CNc1cccc(C(F)(F)F)c1)NNC(=O)Cc1csc(NC(=O)c2ccccc2)n1	11657344	MYMQNJSJJDTZPO-UHFFFAOYSA-N	477.468	3.216	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20213216	CJMSRFHRVLMYTR-HAVVHWLPSA-N	483.974	3.062	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccnc2)c(C)c1	107869719	SQVXLVBMGWEPMY-PKAZHMFMSA-N	464.591	3.391	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408775465	SXUQXJURRAPUDY-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408903884	AVAOMTXYUGYGRH-ZBKNUEDVSA-N	462.212	3.331	50	40	JGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	409026498	QUVOLXDJSOTPIE-ZVHZXABRSA-N	483.550	3.227	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc3ccccc3)o2)c1	409162230	YTKMJKJNOJCYFP-AEIQVQRHSA-N	463.490	3.157	50	40	JGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl	409164498	JJZVODXXUICMOL-AUEPDCJTSA-N	495.761	3.095	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1	409273667	ZXINBYPUPSVHBF-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1OC	1089156	XWKIYAVAXSEHKY-LSHDLFTRSA-N	488.298	3.383	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	8722480	GPVPHLDAQISYHL-YSURURNPSA-N	491.875	3.200	50	40	JGGB	
O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	9704266	FWVRAYDFEIXOJF-UHFFFAOYSA-N	459.893	3.141	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(C)cc3)nnn2-c2nonc2N)cc1	13806600	QWYBSSGBRXTGMB-MFKUBSTISA-N	460.498	3.151	50	40	JGGB	
N#CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	20047758	JJGQSCYPLBROGM-WGOQTCKBSA-N	466.494	3.074	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cc(C)cc(C)c2)cc1OC	20232079	ZFGZVZYFMQRWSU-CVKSISIWSA-N	482.562	3.061	50	40	JGGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)c1	35145958	RROGXHMLTCSQEN-QQXSKIMKSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409263029	LFEMHLIOFMYVFB-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
COc1ccc(O)c(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1	8427161	IBZZPMHIBQVIEF-BIOSWABKSA-N	458.518	3.388	50	40	JGGB	
O=C(COc1ccc(Br)cc1)NNC(=O)NCCc1ccc(OC(F)F)cc1	9595760	ITYXFBOCDXOGOV-UHFFFAOYSA-N	458.259	3.002	50	40	JGGB	
CCOc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc(OCC)c1OCC	13072556	NCSBUJASFHGHBJ-SFHVURJKSA-N	499.564	3.014	50	40	JGGB	
CCCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC	15476757	KVFBZIBKLZWGLO-FMIVXFBMSA-N	465.550	3.197	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)ccc1O	19947887	QRNADVPXBZJZPQ-PCLIKHOPSA-N	467.547	3.445	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	59435494	AAAUDMSFMQDEEH-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)c2ccc(C)cc2)cc1	408910797	KZNIHZCPDPUWRS-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1OC	409006559	PAIOVVSNDQREDZ-YZSQISJMSA-N	451.523	3.271	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nc3ccccc3c2=O)cc1	1276097	QUVLEMXEGDNMFS-VULFUBBASA-N	488.525	3.335	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(I)c1O	2263978	BEFFCXDNZJKSQF-AWQFTUOYSA-N	454.264	3.151	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/C(C)=C/c3ccccc3)nnn2-c2nonc2N)cc1	2393720	YYUGEKSQVIKEJN-FLASKDLSSA-N	458.482	3.117	50	40	JGGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1	9346359	WIWLFBVPHDESOY-QGOAFFKASA-N	450.520	3.260	50	40	JGGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)NNC(=O)c1ccc(F)cc1	9662253	ZIZDARCKTZTARH-SFHVURJKSA-N	489.960	3.470	50	40	JGGB	
CCN(CC)CN1C(=O)/C(=N\NC(=O)Cc2ccc(OC)cc2)c2cc(Br)ccc21	13306728	SHISIQNFRXCULD-DAFNUICNSA-N	473.371	3.167	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OC(C)=O)c(OC)c1	408756846	UTVDNAHIFFALIY-UFFVCSGVSA-N	482.274	3.306	50	40	JGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409150638	CZYGQZDCHLEMGB-YSURURNPSA-N	495.761	3.015	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1	409157410	JDYWFMFIMAJSHT-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409325348	YBTFOIHTXJRERR-OALUTQOASA-N	479.986	3.078	50	40	JGGB	
O=C(Nc1ccc(-n2ccnc2[P@@](=O)(O)c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3180718	DPNUYWOHBNXIAD-UHFFFAOYSA-N	493.372	3.162	50	40	JGGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8762054	YCUPYGNYTAKIOU-AGACQHDISA-N	490.482	3.286	50	40	JGGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC	23410926	FEGRDNCDCXILCX-VXYCCBPDSA-N	492.484	3.222	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C\c1ccccc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33713544	JVUIUUSXYKVIGM-IDEIYSCTSA-N	459.893	3.198	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1	58915490	MVEHGOBNNNGJBK-MFKUBSTISA-N	468.579	3.327	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1	59436924	QHZBGYYYKFQOCN-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(Br)cc1	408648479	YJCHGBRKOZUGHL-INIZCTEOSA-N	452.308	3.416	50	40	JGGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408676626	LNHFHXKKDRIYRZ-WGOQTCKBSA-N	465.579	3.106	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408783139	KMZHXPRAWBVYBW-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O	408908210	VPXQFXPLIXTULY-PCLIKHOPSA-N	467.547	3.191	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)c2ccc(F)cc2)cc1OC	409144828	PHRQRTBAJFYRPX-VULFUBBASA-N	489.500	3.328	50	40	JGGB	
O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1ccc2c(c1)OCO2	705668	OMRJYUTXMXTMOD-UHFFFAOYSA-N	467.073	3.027	50	40	JGGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)c2)cc(OC)c1OC	3142650	RBHXHMIDTNDQOS-HEMYWOPUSA-N	492.484	3.222	50	40	JGGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3ccccc3F)C(C#N)=C(N)N2C1=O	3770435	MYTKEZVEYLDYKK-UYAOXDASSA-N	492.532	3.283	50	40	JGGB	
N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	16039205	YBWBKNWQBNGMGI-XSDIEEQYSA-N	474.860	3.267	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1I	16195920	CIUUQIHKSLWQCP-CNHKJKLMSA-N	475.626	3.331	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(O)c1	59639312	JXWAAFGIZJORDT-WSDLNYQXSA-N	459.963	3.110	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OCC)c1	409152260	DUQZLZGWUCPWKF-VULFUBBASA-N	474.945	3.123	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)o1	409154214	KBHCGHQVERMGKH-OPEKNORGSA-N	470.869	3.462	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1	409158752	YURZXTOOYCJGGI-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OCC)c1	409160781	ZKIFULOHRFZGLF-JFLMPSFJSA-N	468.554	3.086	50	40	JGGB	
O=S(=O)(O)c1cc(N=C=S)ccc1CCc1ccc(N=C=S)cc1S(=O)(=O)O	1534288	AXGKYURDYTXCAG-UHFFFAOYSA-N	456.548	3.434	50	40	JGGB	in-vitro
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OCC)c1	9232880	AZNIHAAWOKJSRA-RPPGKUMJSA-N	493.347	3.162	50	40	JGGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	409008916	AGDYFOXDCDLQOD-ZVHZXABRSA-N	470.482	3.075	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2OC)cc1	409026933	IIQOAZSZQWIKLM-YZSQISJMSA-N	496.589	3.115	50	40	JGGB	
O=C(CNC(=O)c1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21	821847	DEZQEIYBBILJHQ-XAYXJRQQSA-N	491.345	3.246	50	40	JGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	3392668	PCLGYHIDARJGHS-JFLMPSFJSA-N	472.501	3.235	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	16186877	LLAQVYJBXCLRFO-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	19926427	MWOSACGSWBTACG-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	100591072	UNCGHKOJAIRPRK-ZCDUJVAYSA-N	484.188	3.100	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1	408781988	FEJWUDMZLOPIEH-CVKSISIWSA-N	495.557	3.468	50	40	JGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)c1C	409150933	FFCSPILOJKDRMT-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409253859	GTUCAWICJGWFAM-NEOOYVHHSA-N	468.554	3.084	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)cc1OCC	409318722	XPACAHLNCJLBJQ-MSXFZWOLSA-N	478.343	3.265	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(OCC)cc3)nnn2-c2nonc2N)cc1	9291722	AONJTDPJAVHADY-CVKSISIWSA-N	490.524	3.241	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(F)cc1	9307030	NVZDDLPKOZXKPR-ZMOGYAJESA-N	466.502	3.126	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c(OC)c1	20210889	OYMWCNLNMAOCCO-JJIBRWJFSA-N	461.584	3.330	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccccc1	408643961	CJSRFJDBCGWAPX-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(CC)cc1	409252929	ACQGYNZKCLRKCD-AEIQVQRHSA-N	468.554	3.030	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccccc12	1529544457	HIYQOEQEUYROJR-NJTCQAJUSA-N	491.573	3.053	50	40	JGGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC	8856808	MBKMYMJACWMEBX-GOSISDBHSA-N	464.478	3.338	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(N)=O)=C(C#N)[C@H]2c2ccco2)cc1	8996945	SCISKQAWBBWOPL-FQEVSTJZSA-N	466.519	3.009	50	40	JGGB	
COc1ccc(C(=O)NN[C@H](CNS(=O)(=O)c2ccc(Cl)s2)c2ccccc2)cc1	9438904	KLSQAEGBPZYXGB-QGZVFWFLSA-N	465.984	3.364	50	40	JGGB	
Cc1cc(N2C(N)=C(C#N)[C@H](c3cc(CN4CCOCC4)c(C)s3)C3=C2CCCC3=O)no1	12446664	FFNJKXMAJDHWGS-JOCHJYFZSA-N	465.579	3.490	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1OCC	20210407	YZYJUGCQWRPZEO-LFVJCYFKSA-N	477.583	3.189	50	40	JGGB	
O=C(Nc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1)c1ccccc1	408685195	OYUZNJSANIQVFE-UPGMHYFXSA-N	455.308	3.448	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1O	408857412	UXLURCVXTWGDEB-OEBVFIGYSA-N	477.970	3.086	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccc(F)cc2)cc1	409052960	FREBXWJMDXYLAH-AFUMVMLFSA-N	484.509	3.384	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2ccccc2)c(C)c1	409142906	FIGMWWFXNAXWQK-CVKSISIWSA-N	450.564	3.348	50	40	JGGB	
CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1	850923	XSOWFNWVNMDBFS-QFIPXVFZSA-N	466.291	3.380	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	1086939	PRDJTYQSTRPKRX-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/C=C/c3ccccc3)nnn2-c2nonc2N)cc1	2338396	DKXOMTWNJRRMAP-HQUXDSKKSA-N	458.482	3.117	50	40	JGGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccccc1OCC	4078190	JITGLFMBEDAXOO-ROUUACIJSA-N	486.575	3.042	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccco1	9056975	DZWKUINLKHTMFZ-HZHRSRAPSA-N	490.379	3.426	50	40	JGGB	
Cc1cc2ccccc2n1CC(=O)NNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl	10060158	DSGGXOAWOCJRNF-UHFFFAOYSA-N	463.321	3.059	50	40	JGGB	
O=C(NNC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccc(COc2ccc(Cl)cc2)cc1	10963118	BAWHPNANSUYPPM-UHFFFAOYSA-N	492.919	3.046	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@@H]1c1ccc(C)cc1	12250320	OFQXNFSNMCGKOU-LEWJYISDSA-N	494.529	3.321	50	40	JGGB	
CC(C)C[C@@H](C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O	12637866	TWYFBQZTFPIYTO-FQEVSTJZSA-N	458.474	3.082	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1	13147211	MLRZRTMTUZYHLI-LFVJCYFKSA-N	453.520	3.293	50	40	JGGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21	19950172	TYHFUBJPFIRHBW-UHFFFAOYSA-N	468.922	3.008	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)Nc1cccc(Cl)c1	58873734	UGROSKHHUYXBRM-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl	100330841	MFIAUQNVGZRPFI-KBKYJPHKSA-N	497.335	3.479	50	40	JGGB	
COc1cc(C(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc(OC)c1OC	103024470	XPBKNKYWSOTBKP-QQRKTFAASA-N	467.360	3.207	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)cc1OC	408773625	VYHMDXUHEPNLHR-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC	408863414	NXRFTFFTVGICHF-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408903903	BBSPCZFSIODRFW-NKVSQWTQSA-N	476.239	3.419	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	409260997	ZOLRDKOUIOFPEK-WPWMEQJKSA-N	472.501	3.358	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812377	JGPQMZMWCHNLSG-LSHDLFTRSA-N	453.264	3.303	50	40	JGGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1	12275994	PEASHHPXOVUVND-CYVLTUHYSA-N	489.644	3.240	50	40	JGGB	
O=C(O)[C@H](CSSC[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)O)Nc1ccccc1[N+](=O)[O-]	25692936	QDIRHXMEFOIWRM-KBPBESRZSA-N	482.496	3.315	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408748280	BHNWATSZYNZSAP-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408750304	ZRRMWVLOKKEJGU-OEAKJJBVSA-N	485.474	3.144	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC	408908600	WNPFFXMTHQCXNO-WSDLNYQXSA-N	474.366	3.317	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc(OC)c1OC	408996559	ITWPSRLKYKNVQC-BUHFOSPRSA-N	475.501	3.439	50	40	JGGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409153418	LQUJMJNKFQBLKO-CCVNUDIWSA-N	477.517	3.466	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)c1	409174175	SQMMKCJSLMJMGC-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	6146259	YNBRHZNEUKDXSD-ZVHZXABRSA-N	467.503	3.379	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1F	9980773	BFXJLXXNBJEXTG-VQTJNVASSA-N	453.495	3.244	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408773526	LOVDNPIKXGJGMH-FSJBWODESA-N	477.926	3.193	50	40	JGGB	
C[C@@H](C(=O)N/N=C/c1ccccc1O)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025977	CKSHNGWSXBDRTF-FLVDCRJSSA-N	453.520	3.489	50	40	JGGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)cc(Br)c1O	409147477	ZCOZTYQQGSUJHG-CGOBSMCZSA-N	471.105	3.208	50	40	JGGB	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	1632578390	PGHXWCUZZFPOEH-OAHLLOKOSA-N	457.412	3.003	50	40	JGGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1	685657	LHZWZXSVKOTJPW-MFKUBSTISA-N	455.580	3.470	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	1821142	SWESAFUYNPBKAW-LFIBNONCSA-N	490.950	3.301	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1C	9329235	HGVFZNAEFWJQEQ-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1C	9603775	CZEKETUSWHORTQ-NNIWKIFQSA-N	452.511	3.187	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1CCC(C)C	10533676	GKRUDWZVIMNDLG-FYJGNVAPSA-N	497.596	3.133	50	40	JGGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1	108078237	GAUZVGUQFWIWKD-BWAHOGKJSA-N	451.548	3.433	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2cccc(C)c2)cc1	409065560	TXSFZSJITAGYKZ-MFKUBSTISA-N	451.548	3.350	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1	2274284	DKCPVWNELBRGOV-PCLIKHOPSA-N	471.966	3.429	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	408776228	VQJHXLQRDKUFCH-YSURURNPSA-N	491.875	3.200	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	408781123	ACTKTEKQHOHZPV-PCLIKHOPSA-N	467.547	3.445	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1)Nc1cccc(Cl)c1	409155413	RBMUWXYGJNPPEA-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	409233655	LRDNKRBVKYRBCP-ZVBGSRNCSA-N	481.372	3.040	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1CC	409258601	VOULHMBRAICKIL-CIRUFVMISA-N	468.554	3.030	50	40	JGGB	
Cc1cccc(OCC(=O)N[C@@H](C(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)C(C)C)c1	2121849	YGNFRUXHZGVJFY-JGHSGIRGSA-N	491.342	3.336	50	40	JGGB	
O=C(Cn1c(Br)nc(Br)c1Br)N/N=C/c1ccccc1	2148013	CSILVJQTJCCPLF-OMCISZLKSA-N	464.943	3.321	50	40	JGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	2660640	QAARTIXCSUPOIY-BUVRLJJBSA-N	471.970	3.383	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1	9307717	WLOVSVQCBLNNLY-BHGWPJFGSA-N	498.956	3.341	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1	12876487	GIHUMHCQSZXMTG-UHFFFAOYSA-N	459.930	3.283	50	40	JGGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	15163184	ZMBLDVUNLGNGHL-MTDXEUNCSA-N	472.549	3.479	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	19951336	YRDPGVZAIDMONV-NLRVBDNBSA-N	465.579	3.273	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccc(Br)cc1	20209950	LRGHURNNEPBTSH-VXLYETTFSA-N	489.189	3.128	50	40	JGGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	20213608	PFBFRDTVPDGHET-CVKSISIWSA-N	466.563	3.462	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)Cc2ccccc2)cc1C	35242748	GPQLDXCYQAAGKQ-YSMPRRRNSA-N	495.557	3.043	50	40	JGGB	
COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3C)c3ccccc32)cc1OC	46085088	JGAFPVDXXAMRQZ-FVDSYPCUSA-N	459.502	3.458	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	58884383	QIYZPIJRNTZHDK-AXNZHVIBSA-N	474.517	3.040	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1	59443809	JJALWVYISVBSNT-BUVRLJJBSA-N	466.519	3.244	50	40	JGGB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)c2cccnc2)cc1	112295006	BKPJTHCPZKZTLN-JWGURIENSA-N	457.490	3.058	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccc1	408663791	OWHSEQZBSSWRRV-UHFFFAOYSA-N	461.474	3.202	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c1	408841422	JZSIISIVAAFSDO-MFKUBSTISA-N	484.578	3.028	50	40	JGGB	
COc1cccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1	409183941	GLTAROOOIJRMIS-MXAYSNPKSA-N	479.445	3.410	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	409225366	PLTCBYOZYWAOPZ-UHFFFAOYSA-N	467.865	3.404	50	40	JGGB	
O=C(N/N=C/c1cccc(OCC(=O)N2CCCC2)c1)C(=O)Nc1cccc(Cl)c1Cl	409256616	MJSHNHCMYBBEFY-WYMPLXKRSA-N	463.321	3.083	50	40	JGGB	
COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1	1298923	KTQGUJABWSRWRW-FAJYDZGRSA-N	476.920	3.146	50	40	JGGB	
CC[C@@H](c1nnc(SCC(=O)NNC(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C	9375595	MQTOBPCBFRRCER-FQEVSTJZSA-N	466.611	3.201	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1-c1ccc(F)cc1	9462428	ZNKJCYNFIHDUMX-UHFFFAOYSA-N	498.580	3.483	50	40	JGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)c1	106274059	APSRBSVJFNPSLP-KZJCWCHPSA-N	497.511	3.171	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	408783217	MJWVTDGEBGLJRT-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc(Br)c1	408858359	RRGPCACRRHLPGM-VXLYETTFSA-N	457.122	3.405	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	409266339	QUYMQNHCJAXICD-FTQFDPMJSA-N	494.470	3.096	50	40	JGGB	
Cc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1Cl	409348309	SLDLVGDPPRNDJW-UHFFFAOYSA-N	463.003	3.183	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccnc1	8820541	HRRIIUHBWPJFQV-QGNYZNNNSA-N	452.561	3.080	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	9056946	COIPZMUQFGRISO-MFKUBSTISA-N	496.545	3.253	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)c(=O)c1C#N	9235130	SCMZTPGEIKQLMI-XODNFHPESA-N	462.481	3.043	50	40	JGGB	
CCOP(=O)(CC(=O)N/N=C/c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1)OCC	23505132	WZNZDOMUVQNQOP-SRZZPIQSSA-N	481.446	3.181	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C\c1ccccc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33713545	JVUIUUSXYKVIGM-WZRHPCBOSA-N	459.893	3.198	50	40	JGGB	
CCOC(=O)CSc1nc(C)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104476303	BBZHSGCVVAFBCK-UHFFFAOYSA-O	489.557	3.353	50	40	JGGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408681703	IGWRRSLECILBFI-JWQGWVRCSA-N	459.695	3.120	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC	408777866	KNYWOAZSOYXGQO-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1ccccc1F	409114465	HRTJRSKKBCBOEJ-DHRITJCHSA-N	460.506	3.289	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)cc1C	409163457	RURFNKJJTIRESZ-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)c1	409268667	XIOGRQGNTNVJHD-KKMKTNMSSA-N	482.924	3.334	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2	3142021	ZDUOGDSEPADKGW-BRJLIKDPSA-N	493.428	3.080	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1O	3279058	KSFOBCAQLCYHPA-MFKUBSTISA-N	467.547	3.294	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1O	9860942	ASJSJAPZKMZUMB-GOSISDBHSA-N	450.451	3.035	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(F)cc2)cc1	59443961	ABSNPNMOAGQRCR-YZSQISJMSA-N	469.538	3.218	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1	408608991	ISONKURIGOMNHH-XMTZNVEYSA-N	462.344	3.402	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(Br)cc1	408609216	JSDMSHJCYSJDAQ-BRJLIKDPSA-N	486.322	3.396	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1	408765072	KBPAFRMFHYIFST-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12	408962531	STECSAIXCBCSTK-NTFVMDSBSA-N	470.529	3.182	50	40	JGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1)c1ccccc1	408978784	KCPYHCUCMHOUSX-BFTVFPACSA-N	464.316	3.491	50	40	JGGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	409144934	QOKVGRQIAQEHFJ-LURNPEKTSA-N	455.580	3.300	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1	409256866	NVWLCOIQNGGCHT-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNS(=O)(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1	8820668	LMJWYGDRXXBAPT-UBSBAQTRSA-N	487.628	3.152	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1	15945555	YXEWBMKOUOJNRP-ATVHPVEESA-N	455.898	3.132	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1	19948149	LJESRQDKZFADOP-BUVRLJJBSA-N	451.504	3.039	50	40	JGGB	
Cc1oc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1Br	20213560	BLEVOWJFSTXEQX-WSDLNYQXSA-N	477.340	3.091	50	40	JGGB	
O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)[C@H]1COc2ccccc2O1	31879835	ARFZOMVUKOPNFB-TZFWNBKVSA-N	456.090	3.207	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)c(OC)c1	58918355	GMALMUUNWNCQTG-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)cc2OC)cc1OC	97990553	SKVHOWXNCOVPAO-ZYNFKGNASA-N	466.490	3.134	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1cccc([N+](=O)[O-])c1	408737948	LGWKYQQLVHZRPK-REZTVBANSA-N	490.051	3.431	50	40	JGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	408840449	YWIKLMHUBWBBDA-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	409053667	GUPZYAXXDVGRCZ-VULFUBBASA-N	485.537	3.190	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2Cl)c(C)c1	409150437	CBVMUAGTFOSOSU-RPPGKUMJSA-N	458.946	3.197	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(OCc2ccccc2)c1	33684737	SBOBCAJLNTZKEV-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
O=C(N/N=C/c1cccc(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408868179	MTVGWTOZOOFCML-KKJJZKEWSA-N	470.776	3.406	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc([N+](=O)[O-])cc1	408951723	JWOBBXGAMKIWNL-GIDUJCDVSA-N	464.013	3.319	50	40	JGGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	408967230	RHFHNNTZBGESRR-WGARJPEWSA-N	468.579	3.141	50	40	JGGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc(Br)c1)OCc1ccccc1	408985194	AEDIZUAPVCKZNJ-ZDZUNBPVSA-N	470.327	3.160	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c1	409156792	PBUWGNDKJHBYFI-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(CC)cc1	409252937	ACQGYNZKCLRKCD-CIRUFVMISA-N	468.554	3.030	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1	409262934	JPUPPGOUISZOFQ-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1	9478610	XSGOTNAFCRCWFG-UHFFFAOYSA-N	468.897	3.495	50	40	JGGB	
Nc1scc2c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(Cl)cc3)c(=O)c12	16400353	PIHHQNJJEIKTGP-NUGSKGIGSA-N	468.882	3.355	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)CC1	58914505	GHFLBUIAONIZRK-QQXSKIMKSA-N	466.925	3.408	50	40	JGGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1	101317641	IMDUCHZVGXOYCB-LNQCCUSDSA-N	450.969	3.106	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1O	409118943	VIDPQAJRGXJCOG-CVKSISIWSA-N	485.537	3.271	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409155971	JOKNDHGODAWBDS-KKMKTNMSSA-N	494.470	3.096	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cc2cn3ccsc3n2)ccc1OC(=O)c1ccccc1F	8825622	IMLHOJARRJCUQS-WYMPLXKRSA-N	452.467	3.456	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	58881608	OFCNFIQFJLBYEF-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl	59247179	VZOHPXKCDWIVHO-FMCGGJTJSA-N	466.763	3.464	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408763131	HPVYHDRWTHQXGU-OEAKJJBVSA-N	485.474	3.144	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O	408923609	YJFSLNWCLCWIQV-PCLIKHOPSA-N	467.547	3.191	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409063295	KDWFFAVHARRCBO-CFRMEGHHSA-N	493.432	3.293	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1C#N	409233870	UHTRAKXIQKXWSR-UUASQNMZSA-N	455.268	3.010	50	40	JGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OS(=O)(=O)c1ccc(C)cc1	2182872	QFRRRQGZJXBMES-NRFANRHFSA-N	454.504	3.408	50	40	JGGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1	12585400	BHJRXPMOIBAPQZ-UHFFFAOYSA-N	459.549	3.006	50	40	JGGB	
O=C(CSc1cccc2cccnc12)NNS(=O)(=O)c1cccc(Br)c1	12753494	CDOFGGIHPOKNBF-UHFFFAOYSA-N	452.355	3.099	50	40	JGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccccc1I	13562675	LRQVZNMLRUWFKQ-WSDLNYQXSA-N	479.274	3.197	50	40	JGGB	
C=CCOc1c(I)cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	35362991	FBLIVQXBIDPZQJ-CIAFOILYSA-N	495.273	3.466	50	40	JGGB	
O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@H]1Cl)c1ccccc1	102629235	SQBRMEYLNQYYAP-CPRNOTFYSA-N	457.360	3.431	50	40	JGGB	
Cc1ccc(NC(=O)NNC(=O)c2cccs2)cc1NC(=O)NNC(=O)c1cccs1	102985783	PZCSQBKSCWWFAQ-UHFFFAOYSA-N	458.525	3.051	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(Cl)cc1	408732297	UADMGGLFSBCXDQ-KEBDBYFISA-N	459.875	3.437	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OCC)c1O	408870494	FMPLXCMGYLEDFS-RASHHNMQSA-N	491.997	3.476	50	40	JGGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1C	408871233	WMSFFKVJHBINHO-GQBLCDNYSA-N	458.971	3.444	50	40	JGGB	
CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	409314054	JYIVGYHFBKAKQN-NHDPSOOVSA-N	484.290	3.480	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC	19947879	LUGGMWJPMAWQHY-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)ccc1Cl	34877977	DZANWLFDSZXGHN-LFIBNONCSA-N	454.866	3.361	50	40	JGGB	
CCCCCCC(=O)NN/C=C1/C(=O)N(c2ccc(I)cc2)C(=O)N=C1O	38166078	DPACGSRPAJMHAA-SDNWHVSQSA-N	484.294	3.189	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1F	59490196	PKCRZIKPRFTULT-VULFUBBASA-N	487.484	3.082	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)ccc1I	408745752	ADOVIKHCRLFYLD-KEBDBYFISA-N	470.263	3.090	50	40	JGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1	408964671	FDDUQILRPBBNEP-AQTBWJFISA-N	450.520	3.296	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1	409150191	AUAGCEZWZCJYAH-BHGWPJFGSA-N	495.761	3.096	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409169290	PFXAUZOOUPZSNM-CCVNUDIWSA-N	482.581	3.250	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc3c(c2)OCO3)cc1	409224444	LMZWHDFLPYEXIW-ROTLSHHCSA-N	490.428	3.265	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	409264758	RUSSICSEFGNXFA-LQKURTRISA-N	490.491	3.497	50	40	JGGB	
O=C(CSc1nnc(-c2ccncc2)n1CCc1ccccc1)NNC(=O)Cc1ccccc1	915298	MPSURDVLIGQUHG-UHFFFAOYSA-N	472.574	3.065	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2cccc(O)c2)C1=O)=C\c1ccccc1	8820655	WOAPGAVWMNDCMV-RZTVDGLLSA-N	453.545	3.001	50	40	JGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	9041296	ZZZKNQGIOVHEKR-FSJBWODESA-N	450.326	3.170	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O	408783465	PKBSSECOUBLCRP-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cccc2ccccc12	408855758	DCTUXJACJWJOJQ-ZMOGYAJESA-N	469.588	3.250	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1	408954060	MVLRZDYUQNJHTQ-LFVJCYFKSA-N	483.502	3.454	50	40	JGGB	
N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)N1CCCC1	409369199	HJZPLWNMUUCSDR-BJMVGYQFSA-N	494.070	3.131	50	40	JGGB	
COc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	2237936	AMSVQBMHKQGDHT-ATVHPVEESA-N	475.979	3.401	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	2750726	WJPNAZSMVYCJCH-WSDLNYQXSA-N	476.352	3.446	50	40	JGGB	
Cc1ccc(/C(=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2)cc1	3253127	IZHFCPQQKWDKTQ-SHHOIMCASA-N	463.559	3.198	50	40	JGGB	
Cc1ccc(C(=O)NN2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	8927559	CQTCDIXTMYKLJS-MJGOQNOKSA-N	460.889	3.051	50	40	JGGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)ccc1O	12275119	UGBZSKPNSYCGHT-UPCLLVRISA-N	468.531	3.451	50	40	JGGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	13109989	NWOUSRXEDXFKCL-LZGZYFLISA-N	480.030	3.247	50	40	JGGB	
N#C/C(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)=C(\c1ccc(F)cc1)N1CCOCC1	14357551	JHJMUGIYRALYLK-VZCXRCSSSA-N	498.971	3.380	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1OC	20213535	XKYMJCRTHZGXHT-YZSQISJMSA-N	480.546	3.001	50	40	JGGB	
CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)NNC(=O)COc1ccccc1Cc1ccccc1)(C3)C2	104994367	UMVCVAHVXIEJCL-AAULQTLXSA-N	475.589	3.279	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1	107893525	BZDFSIPOPBLXSN-MMOHFDRGSA-N	497.511	3.171	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	253488198	ZJTGAWMXWZCBPC-IVAOSVALSA-N	474.860	3.267	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1OC	408604406	INRAYIKXEMOVNB-MUFRIFMGSA-N	479.508	3.231	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408921312	GDCORIHDBMERBM-WGOQTCKBSA-N	495.557	3.136	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408968802	ZIRLSQADFPURFF-YSURURNPSA-N	478.274	3.174	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])c1	1091799	ZZGIBOCAODKCGJ-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
CCCCn1c(O)c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(=O)c2ccccc21	2291588	VDIBKGVWZCKWFN-AFUMVMLFSA-N	453.495	3.297	50	40	JGGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(O)c1O	3112673	VNSZJSPZKQWFRZ-YDZHTSKRSA-N	459.911	3.097	50	40	JGGB	
CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1	13803988	DOBKUSJFIQYNIK-FOKLQQMPSA-N	480.579	3.319	50	40	JGGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1	15429592	HYWKYOGAVKJURD-UHFFFAOYSA-N	455.920	3.019	50	40	JGGB	
COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OC	58886597	IUDJUGQSWHWCEL-GKXUUXLPSA-N	468.291	3.272	50	40	JGGB	
Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)C(=O)NC2=S)cc1	408758194	HJFHDUVKMMHWAE-QYJQOTDOSA-N	486.553	3.207	50	40	JGGB	
CC(C)OCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O	2418950	JPKXSNIMEWXCSD-SAPNQHFASA-N	450.470	3.464	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccc(F)cc1	9498742	DPQYWSXLMOQCQW-BHGWPJFGSA-N	486.920	3.471	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1	19956126	XINQUSKVJNIGTN-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc(Cl)c(Cl)c1	33469776	FTYPIPKUNDLMCD-CLNRDIBLSA-N	492.371	3.068	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408607813	DZSHELSHSACBGE-VFADJPBRSA-N	450.322	3.318	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	409267550	NOUVROYXTWNJFS-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)NNC(=O)Cc1ccccc1	924482	OSXRERBLJHFPAN-UHFFFAOYSA-N	450.568	3.328	50	40	JGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	1089230	AOIFWUYMWDRCGN-ODCIPOBUSA-N	472.255	3.095	50	40	JGGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C2/C(=O)Nc3ccccc32)nc2ccccc2c1=O	1245713	NJCRJSMJLVUQDU-UHFFFAOYSA-N	469.526	3.259	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccc(F)cc3)cc2)cc1	9911121	BTZRZXIIVBKSDR-UHFFFAOYSA-N	455.511	3.030	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1	13401061	ZHVZDCCOACZMNL-SDNWHVSQSA-N	452.448	3.356	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC	20209117	FXCBGPGNNLTTHT-BUVRLJJBSA-N	459.568	3.300	50	40	JGGB	
Cn1ccnc1SCc1c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)oc2ccccc12	58175728	NVZDUMZMGQIXTP-IBGZPJMESA-N	464.503	3.060	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1Cl	59246829	QKNBNBOPHZEDGJ-MSXFZWOLSA-N	496.789	3.472	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-]	409015910	PJQKJLBYHIFQQO-AMAFCZHPSA-N	476.917	3.317	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)c1	409163007	KNFKSEKVBGJGQK-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1O	1202926	CBUZHCKQLUQOEO-UFFVCSGVSA-N	453.280	3.266	50	40	JGGB	
O=C(CNC(=O)c1ccccc1Cl)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	1813947	LSBOEMSODNBDCK-FAJYDZGRSA-N	460.921	3.180	50	40	JGGB	
CCOC(=O)N1CCC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CC1	9403843	AAMAGPNGXBXBLN-UHFFFAOYSA-N	488.566	3.224	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1cccs1	9424615	GCOXLBAPPBYYGL-ODCIPOBUSA-N	463.310	3.422	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc4ccccc4c3)nnn2-c2nonc2N)c1	9500529	LVUAZBWDVKTFQO-VULFUBBASA-N	468.477	3.215	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1O	36080448	KOELPKSWMIZYTC-PBWVZGNXSA-N	497.508	3.234	50	40	JGGB	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1	39976072	POGMWCBCQHOXMW-XMMPIXPASA-N	484.512	3.208	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58882063	SIKJNNQDPDNIHC-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)NNC(=O)c1ccccc1Cl	408667774	KSDQHXRMSAJXJJ-LLVKDONJSA-N	484.723	3.004	50	40	JGGB	
COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	408686608	SDPPZUVAOJUAGU-GFBDQPOWSA-N	485.334	3.457	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	408908623	WTOLYUOACRZZBX-KIQCMGJBSA-N	457.474	3.409	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl	833366	FEIAPZHDVOKQGA-UHFFFAOYSA-N	498.948	3.017	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1O	2289544	RPDZAPWTMZXOKT-AFUMVMLFSA-N	487.965	3.395	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)s3)nnn2-c2nonc2N)c1	9292138	VQIWSYLWLXEMLP-LSHDLFTRSA-N	472.918	3.167	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c(Cl)nc2c1	20209552	NKMLNDLEYNQOEA-FOKLQQMPSA-N	481.361	3.467	50	40	JGGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cnn(Cc4ccccc4F)c3)c12	22714893	QEFBTZWHQOWSEQ-UHFFFAOYSA-N	478.557	3.169	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408611743	RZRDREWRCFIKPD-HDDDNDSPSA-N	450.322	3.318	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Cl)cc1	408663817	OLBXFSNRRFYFQQ-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408789486	LJMKRTAARIKWTN-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1OC	409319016	ZYQZPGZNOZNGAV-FBHDLOMBSA-N	451.273	3.084	50	40	JGGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	1014034	RBEQUMOFVVMNAC-ORWNMUSCSA-N	456.351	3.305	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)N1CCOCC1	1066053	DEFGMEAIIWQGES-FQEVSTJZSA-N	473.489	3.134	50	40	JGGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OC	1784043	MYKCTZGSYHUUAI-LIMNOBDPSA-N	493.383	3.395	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1ccccc1F	9110876	NZNMXHSYWMTHAM-MOPGFXCFSA-N	457.458	3.074	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1O	19950175	ZSVMDZRZGIRGKD-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19950394	BCSZZMHTRASQDE-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	19950893	XXCXNFQEBYAMCJ-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	20059280	XOTJRFFAHWNTLQ-HZHRSRAPSA-N	452.492	3.325	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	58873622	ZTQBDCRYUUWBJL-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1Cl	408532001	HTNLUDPFNZPHBI-WAXRZFIUSA-N	453.669	3.262	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(F)cc2)cc1	408770869	AQPGLBDYLMIIFT-AFUMVMLFSA-N	469.494	3.178	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cc(C(F)(F)F)ccc1Cl	408907817	SNSRXACFYWQRBT-OPEKNORGSA-N	488.875	3.177	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OCC)c1	409159987	OSRINHVZBSIUOQ-RPPGKUMJSA-N	493.347	3.162	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1	409173710	QNDBTKISILBFGL-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1	409263631	LRBKQDBKUZOVKK-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1	4132501	GUEUBNWXOMXPHB-FSJBWODESA-N	495.293	3.065	50	40	JGGB	
NC(=O)N[C@H](CC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	9217534	YXMSAYNMAZJTET-OAQYLSRUSA-N	466.925	3.333	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1cccc(O)c1	9288669	CXBLTWHDKNIMSJ-NUGSKGIGSA-N	473.280	3.066	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cccc(C(F)(F)F)c1	15231308	OOCBFDYYGPRMDX-YSURURNPSA-N	487.525	3.116	50	40	JGGB	
COc1ccc(-c2cc(C(=O)N/N=C/[C@H]3C(=O)Nc4ccc(Br)cc43)[nH]n2)cc1	16217406	ZVONVMGUGHNKEL-WPZNHYQYSA-N	454.284	3.299	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409152204	ANDZAPPOXKTDNS-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1	409166349	DFZWVHOMAHIOLH-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
O=C(COCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)Oc1ccc([N+](=O)[O-])c2cccnc12	725442077	UINUUGYYJNCGGR-UHFFFAOYSA-N	478.373	3.127	50	40	JGGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC	2430218	GFIKCKAEERGLQO-XMMPIXPASA-N	487.512	3.364	50	40	JGGB	
Cc1c(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc(C#N)n1C	13985412	SMLPCJGTOOOPGI-ZMOGYAJESA-N	455.927	3.423	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2Br)c(C)c1	16267386	BTANJAXOOAFMDT-SRZZPIQSSA-N	452.374	3.145	50	40	JGGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C)cc2)cc1	20232265	VRAJVWNVPHKRLY-BUVRLJJBSA-N	454.577	3.458	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	408607006	MUJRIMACQSALFY-ZMOGYAJESA-N	460.328	3.179	50	40	JGGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)o1	408728472	NCIJAOUQODHQIP-OMCISZLKSA-N	496.042	3.267	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c1	409156101	RMDWKLNKRILQTC-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1OCc1ccc([N+](=O)[O-])cc1	1086812	TZFGJQNOCUFPFE-LSHDLFTRSA-N	488.298	3.442	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1Cl	2176277	PGNROJAIAFRNAL-FSJBWODESA-N	467.975	3.300	50	40	JGGB	
CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1	12521050	LJEYPJLJCKJTGV-INIZCTEOSA-N	455.536	3.220	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)ccc1O	19948077	PTMQXUFSXNRVET-PCLIKHOPSA-N	467.547	3.445	50	40	JGGB	
CSc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	20209818	NZZISDPGAYOFFJ-YBFXNURJSA-N	456.387	3.087	50	40	JGGB	
CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	408638613	SVFXAJVOOKODEO-UHFFFAOYSA-N	489.985	3.113	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1	408744999	OQFKENLZTFNNKS-ZRNYNZGJSA-N	462.531	3.155	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1OCC	408876413	OPNCYLHAYPXOOL-YDZHTSKRSA-N	483.974	3.062	50	40	JGGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-]	408979242	LQXNVIJVRRDQPP-NSRYLYFRSA-N	496.545	3.472	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1	408995835	NRYGHGJNYPBNOH-VROXFSQNSA-N	466.321	3.083	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	12752992	RQMKDXLGTYIVOT-UHFFFAOYSA-N	459.911	3.224	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1	20207726	GKNZQKBGOWTLKL-PCLIKHOPSA-N	451.548	3.490	50	40	JGGB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	101912513	QUXJVDNTSOQQFK-WCBJTDJXSA-N	471.145	3.146	50	40	JGGB	
COc1cc(C(=O)Nc2cc(Cl)ccc2[C@@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC	256028039	PQNIBEXNAVLJDN-QHCPKHFHSA-N	498.967	3.287	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCC(=O)O)cc2Br)cc1	408811946	MBSMINCEKUVCHW-CHHVJCJISA-N	475.295	3.153	50	40	JGGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)o3)n2c1	408835086	WAJVSVPXYIPACZ-MYKKPKGFSA-N	485.953	3.440	50	40	JGGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2)cc1OC	408970764	DINHQSIIRSRJPO-PCLIKHOPSA-N	473.595	3.378	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c1	409015139	NWRXCCVVKYMDNG-HMHIXTCJSA-N	461.946	3.417	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409063777	NFEYXFRFLWQJKS-CFRMEGHHSA-N	493.432	3.293	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC)c(OCC)c3)[C@H]2C1	658779	NIQAXCHQFHHGOT-UGKGYDQZSA-N	461.522	3.366	50	40	JGGB	
Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)ccc1Br	2134918	BYIOXQROKDKDAW-UHFFFAOYSA-N	468.735	3.356	50	40	JGGB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3C)C2=O)c1	8819214	QTPNOJVGOXRODO-RGEXLXHISA-N	469.588	3.446	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C/c1cccc(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	13784976	XLJWHIKFLCENHR-WMPMWDHYSA-N	459.893	3.198	50	40	JGGB	
Cc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	17397258	XAYBVGBRHDYJJM-UHFFFAOYSA-N	457.939	3.453	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc2c1=O	69628038	KMUUGMGKYWYPIC-HXUWFJFHSA-N	493.583	3.399	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2)c1	408785081	XWVCQGMEUGNIGD-JJIBRWJFSA-N	453.520	3.137	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	408885472	AKZWFCWZOHAVDV-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)c(C)c1	409175294	ZTDAZBREFNYHNF-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F	409271837	NVDDWXQEWXBJCO-SVLFYUKMSA-N	464.444	3.088	50	40	JGGB	
Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]	673911	KZYGUYVIULWWJR-UHFFFAOYSA-N	487.104	3.268	50	40	JGGB	
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3cc(C)oc3C)cc2)cc1	12544907	FHFDWHLPOJMCIT-UHFFFAOYSA-N	457.508	3.171	50	40	JGGB	
O=C(NNC(=O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1)Nc1ccccc1	12960242	RHRYCMJGGYHPSR-LBPRGKRZSA-N	456.812	3.164	50	40	JGGB	
CCCCc1[nH]nc2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OCC)c1)C(C#N)=C(N)O2	20058175	NGFIDDNITJMOCH-QFIPXVFZSA-N	467.570	3.080	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2\[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@@H]4[C@@H](I)[C@@H]3[C@@H]6[C@H]25)c([N+](=O)[O-])c1	195528802	ONQRMRLNRDSIAF-KOYVTROVSA-N	466.235	3.462	50	40	JGGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	408938892	MBOMVJMANVJTCV-LPYMAVHISA-N	476.352	3.383	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OC	408964010	LFLQUADFJOGTMA-XYCMHOAJSA-N	455.555	3.462	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OCC)c1	409155895	DWYPIAHGAKCVRC-MZJWZYIUSA-N	488.972	3.431	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1	409169644	QOQTWONGIOJHAN-BRJLIKDPSA-N	489.370	3.060	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	409169989	RQTXULYNTQODLX-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NNC(=O)c1ccccc1	9373014	PHAAKMWLTGCHRR-UHFFFAOYSA-N	466.469	3.217	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	20060504	KATGODCTMSLABQ-KGENOOAVSA-N	468.373	3.154	50	40	JGGB	
COC(=O)CSc1nc(C)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022914	KDJQBDVIWYZQJB-UHFFFAOYSA-O	475.530	3.375	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccc(Cl)cc1	408666258	XTXMJWHHBKCUQB-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1	408829979	LATNRODSIZMJHV-PCLIKHOPSA-N	465.531	3.112	50	40	JGGB	
COc1nc(Oc2cccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2)nc(N2CCCCC2)n1	408974431	ZVBIZPNDPCUPMX-BUVRLJJBSA-N	477.481	3.335	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c1C#N	712021	KKAKMCLQTPNLAG-CCVNUDIWSA-N	488.500	3.165	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccccc1Br	881095	QURJUCISKFVLCH-SSDVNMTOSA-N	457.284	3.472	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c1	1091960	LZEKPUGUBVBUCD-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	1955833	NLDKTFQBLYHPMA-RNIAWFEPSA-N	460.406	3.031	50	40	JGGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	8451689	RBEQUMOFVVMNAC-QQZPLFJDSA-N	456.351	3.305	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1OC	8958890	BHGOLYFURMWXOI-PCLIKHOPSA-N	473.595	3.486	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc(OCC)c1O	9305752	JBSUECPTBGISME-RWPZCVJISA-N	465.550	3.044	50	40	JGGB	
O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	9376539	OFYNJVGRNPRRON-UHFFFAOYSA-N	466.563	3.117	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCC(=O)O	13915004	PUKQWNUMSLYFTE-SXGWCWSVSA-N	459.296	3.187	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19949694	ZLPXRWBYJUTSOX-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC	59516065	XJXHKKOBZRLWDL-RDRPBHBLSA-N	475.545	3.482	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408610383	TXPMYIILNUSFPX-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	408867122	JMLGSBGYCLJUOR-MBTHVWNTSA-N	489.532	3.055	50	40	JGGB	
O=C(CNC(=O)c1ccccc1F)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	1300957	DJTIFRIPQJNDFW-IADYIPOJSA-N	464.884	3.276	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	1444787	SDEUZMKCWPRELJ-AFUMVMLFSA-N	479.445	3.360	50	40	JGGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(O)c(OC)c2)nnc1-c1ccc(OC)cc1	9088232	ITBYWMRPOXYWEA-UCQKPKSFSA-N	455.540	3.320	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2)cc(I)c1O	32110866	TXMJUTBKDJNPSI-JMIUGGIZSA-N	454.264	3.233	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1	408771808	JFYHHNJGKODMCY-HYARGMPZSA-N	453.948	3.054	50	40	JGGB	
O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(-n2cccc2)cc1	408960794	JABDNTYSHKPSPP-PKAZHMFMSA-N	455.518	3.055	50	40	JGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1C#N	409063877	NTBQEDKSGWPJJA-RPPGKUMJSA-N	476.493	3.253	50	40	JGGB	
CCOC(=O)/C(C#N)=C/c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O	2205200	HQTBOOYUWSASDY-NBVRZTHBSA-N	477.952	3.453	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2cccc(F)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	3413137	VGXINSUWYYPGPG-AFUMVMLFSA-N	472.494	3.440	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	8780748	MIRXGCPSIJSJKP-AWQFTUOYSA-N	473.243	3.274	50	40	JGGB	
COc1ccc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc12	9381898	WVHLMQQNPFCYAF-HUUCEWRRSA-N	490.607	3.168	50	40	JGGB	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	12818061	UGCORUUTGWPXIA-PKNBQFBNSA-N	499.932	3.344	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1	408655688	LLDUJEUEOKREQT-ZCLUNYJNSA-N	499.361	3.299	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	408749954	VIGGCZBBHGYOOT-ZVBGSRNCSA-N	451.273	3.002	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(Br)cc1	408769690	ZGEDQZPPBJADFH-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1)NCc1ccccc1	409166861	GWOFYEMXZMQSHE-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1	409260993	ZNSHMGVFHHVKRG-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1	409266804	YOSSQQMUMLPCLN-WNFQYIGGSA-N	469.133	3.148	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1	9846852	FSFWHOBQZNOOIX-RUZDIDTESA-N	468.513	3.491	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	408745687	UZULOUPXTYBAFL-FWFZHJKVSA-N	468.922	3.191	50	40	JGGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Br)cc3)CC2)cc1OC	409005426	INXCLKAXURZABX-ZVHZXABRSA-N	474.355	3.469	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	409167122	GVGXAXOQUGLWRL-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCCCOC(C)C	2399916	CYIVGOBZEOTGAK-OBGWFSINSA-N	462.506	3.334	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1ccc2c(c1)OCO2	9311077	FFBXLFCFDMLHSF-BRJLIKDPSA-N	464.478	3.428	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1	16248245	NVCPYADXVNOVFM-HZHRSRAPSA-N	468.491	3.303	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1	20060568	PXWZXNSNIGEIBD-BUVRLJJBSA-N	451.504	3.039	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1	58881652	IXXRQGLDKDJPAQ-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC	58925283	VCBXJZFVAMZMKC-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1	408783158	LPBFYCAAPRANRG-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(OC)c(O)c2)cc1	3233189	OTRROKJGBVCCGL-BUVRLJJBSA-N	469.519	3.364	50	40	JGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1	12173123	OXUGFSBBBIUOPZ-QFIPXVFZSA-N	489.528	3.458	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC	108081668	CNYMVDFUPFHZCR-WSDLNYQXSA-N	491.285	3.034	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1	408611399	QVOFLJKEMRCKNS-KWJLSGNOSA-N	458.946	3.339	50	40	JGGB	
COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)cc1	408683287	LCADLTCPSWNXIC-CPPNMTBBSA-N	485.334	3.457	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408772730	HOKCFDJKDLVJNT-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
Cc1ccc2c(c1)/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2C	1078874	HGVNTIIAFPIXDW-AZWNQJEOSA-N	483.484	3.171	50	40	JGGB	
Cc1ccccc1N1C(=O)C(=CNNC(=O)c2ccncc2)C(=O)N(c2ccccc2C)C1=S	1245911	JRVQJEMUUPZMHJ-UHFFFAOYSA-N	471.542	3.182	50	40	JGGB	
COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1	1781547	GYNIDLKHVQGZHL-RUDMXATFSA-N	484.144	3.460	50	40	JGGB	
NC(=O)N[C@H](CC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1Cl	12599002	PJHPOZGIRFGCLW-OAQYLSRUSA-N	466.925	3.333	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1	58915484	DNGKUKMYHZPKSH-BUVRLJJBSA-N	454.552	3.019	50	40	JGGB	
O=C(Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409222138	ACQAQFCVMZIPPD-UUYOSTAYSA-N	450.363	3.192	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1	409258978	WSSSYHTVTLDILS-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F	409260361	PFUBJUKOHLPFLD-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1C	409269924	BFBMSCSTDHKZTG-KWJLSGNOSA-N	458.946	3.339	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Br)c1	1818181	CJEVWCXANXSRKL-KEBDBYFISA-N	475.328	3.395	50	40	JGGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	12362195	ZGIQCTVAGCHELG-MXAYSNPKSA-N	483.448	3.115	50	40	JGGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC	33735479	KPCWKCSTJYLZAM-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)c1	409020848	URVYLNNMDNFDPS-CVKSISIWSA-N	463.490	3.494	50	40	JGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1	12552891	CQGVYAHWTKKPBI-XMMPIXPASA-N	458.562	3.335	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OCC	20211016	SXGVNHVLQHNBAQ-DHRITJCHSA-N	487.500	3.419	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	22617022	YDGMDXFVNUPXTO-UHFFFAOYSA-N	459.911	3.224	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1	59247181	VTDHPPLYZWTTPC-FMCGGJTJSA-N	466.763	3.464	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	253488145	YBWBKNWQBNGMGI-ANULTFPQSA-N	474.860	3.267	50	40	JGGB	
O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408680828	GZVDYJZGXYPDAZ-VWQYPGANSA-N	461.356	3.212	50	40	JGGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)N1CCOCC1	408757385	ZHWATICMMHXCRS-GHRIWEEISA-N	470.323	3.232	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)cc1	409168221	LNGLFVNIJNKCIM-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409172833	LTCWRTPDTQFJKE-NSKAYECMSA-N	484.862	3.351	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(F)cc1	409248327	PRRHVVPXYBANPF-MLPAPPSSSA-N	495.248	3.120	50	40	JGGB	
COc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(Cl)c(Cl)c2)c1	9330075	QWOLBIZPECQOPC-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)cc2OC)cc1	12770831	XFJQCXHKTGVTRK-UHFFFAOYSA-N	483.908	3.450	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1	13647778	BIFXQVZHRCJXDO-LUDQZLGDSA-N	490.585	3.457	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2)cc1	19955879	UITDFRSQKDBRRQ-KOEQRZSOSA-N	466.563	3.107	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1	409152507	FPAKQTWWQSHUSH-RDRPBHBLSA-N	472.545	3.076	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1	409165170	UEOMDKWGDDOKAB-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409266273	XKJSFOYOMOJCBR-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)cc(OC)c1OC	2363417	ZXYACWMZGYJFPC-FLFQWRMESA-N	496.523	3.454	50	40	JGGB	
CN1CCN(C(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1	2667725	GRVPVNGAKKAGRU-VQISRLSMSA-N	487.074	3.446	50	40	JGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)c1	9192768	WENDJCHIYQRWFM-IBGZPJMESA-N	462.462	3.246	50	40	JGGB	
COc1ccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2ccco2)cc1OC	9442380	PVEKDAZBTMIYSW-UHFFFAOYSA-N	455.492	3.102	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC	20211518	APSKPPLHZDKSIY-FSJBWODESA-N	486.377	3.483	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)cc(I)c1OC	32189160	CGIXTIWUNBTYLF-UKWGHVSLSA-N	474.682	3.491	50	40	JGGB	
CC[C@H](C)Oc1ccccc1/C=N\NC(=O)Cn1c(C)c(Br)c(COC)c(C#N)c1=O	408601901	MBBYPGPRQIUDTF-MVJNIROCSA-N	489.370	3.265	50	40	JGGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	408828931	NGIXTPIJACOBNY-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408969703	SDYZURSJZGSGSJ-DHRITJCHSA-N	457.449	3.396	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OC)c1O	408970172	BYFRIQIPGRNLQH-VJWWNUEDSA-N	467.566	3.498	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	409184007	DTNYVQOCUVAPSR-WPWMEQJKSA-N	482.537	3.384	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc2Cl)cc1	409342591	BUAYORBVXUWIBQ-SLEBQGDGSA-N	496.976	3.341	50	40	JGGB	
C#CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)OC)cc2)N1C(=O)CCl	585090191	GTNAAZNPXVTGPI-NZQKXSOJSA-N	464.905	3.212	50	40	JGGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1CSc1nnc(C)s1	2244933	AYYSIRWCKUDIBP-LSHDLFTRSA-N	459.528	3.375	50	40	JGGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(Cl)c(O)c(OC)c3)C3=C2CCS3(=O)=O)cc1	12420843	FSPAURCUXXAHLY-IBGZPJMESA-N	473.938	3.391	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccccc1	20461329	NZMZMBCRSFPFSW-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Br)c[nH]1)OCc1ccccc1	23914239	DFBQTXQAORCFGY-IBGZPJMESA-N	485.338	3.076	50	40	JGGB	
CN(C)c1ccc(/C=N\NC(=O)c2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3)cc2)cc1	33384788	YYJSQKKXYRJBEU-HJTNQMAYSA-N	456.550	3.346	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl)NNC(=O)c1ccccc1Cl	408671081	YLMPZXVJHDRNDC-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(Cl)cc1	408720772	CYCJMCHKJMDALO-CVKSISIWSA-N	499.976	3.452	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1	409256103	JRQONQGVLRLXJR-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	890507	ULFWUXJYABPDGS-MSMNXAATSA-N	497.599	3.192	50	40	JGGB	
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)cc1	3275189	AOASRRCHQAKGPE-RPPGKUMJSA-N	460.412	3.418	50	40	JGGB	
CCCCC(=O)N/N=C/c1cc(I)cc(I)c1O	4991688	BHHWHQSFFPPWOU-VIZOYTHASA-N	472.064	3.242	50	40	JGGB	
COc1ccc2nc(SCC(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)cc(C)c2c1	9193162	OOWSQKAOGHQMNT-UHFFFAOYSA-N	451.464	3.025	50	40	JGGB	
N#C/C(=C/c1ccc(O)c(I)c1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408905050	SLTRGXXSKGZKDM-DEYISHSISA-N	455.259	3.205	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1CC	409258598	VOULHMBRAICKIL-AEIQVQRHSA-N	468.554	3.030	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc(Br)cc1	881116	QRMFPDHAIXYCQK-SSDVNMTOSA-N	457.284	3.472	50	40	JGGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)NN/C=C2\C(=O)N(C)c3ccccc32)cc1OC	1247474	ADPXPYJRIXMPBJ-SILNSSARSA-N	497.555	3.283	50	40	JGGB	
O=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1ccc(Br)cc1	2620011	ZIPKUIPTYXHTCK-UHFFFAOYSA-N	478.397	3.466	50	40	JGGB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1	8770285	RKGTVIZXUWCVBY-HMMYKYKNSA-N	498.008	3.137	50	40	JGGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc2c(cc1Cl)OCO2	13898531	APOQRHFQYPARKG-KPSZGOFPSA-N	456.636	3.269	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OCC	408907765	QWCVQTGQQAKEGY-BUVRLJJBSA-N	459.568	3.183	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2)cc1	409163285	OVQHAWIDGPMQOT-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	409186030	VPFZGNIOMGRNPR-PCLIKHOPSA-N	467.547	3.191	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409258165	RTGZGIXWZLWENQ-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)cc1OCC	409311384	FTZZVUPPFPHTBP-MSXFZWOLSA-N	476.327	3.041	50	40	JGGB	
CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1	2399199	WCWBJDQFSPNPOG-SSDVNMTOSA-N	466.552	3.011	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Br)c1OCC(=O)N(C)C	8708872	FURZJKXMPLUBQH-OQLLNIDSSA-N	464.360	3.281	50	40	JGGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408681706	IGWRRSLECILBFI-ZTFQOWAKSA-N	459.695	3.120	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc(OC)c1OCC(=O)O	408848004	XRBCSRPIDSJZLF-KBNYBFKUSA-N	457.490	3.095	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409221428	QCCZWDHNHRYPLB-MLPAPPSSSA-N	475.255	3.047	50	40	JGGB	
O=C(NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccc(Cl)cc1	9591391	FTUGJJGBBAKYTD-MAUKXSAKSA-N	481.307	3.396	50	40	JGGB	
O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc2ccccc2o1	33380673	OIZFJCVAUVXMMB-CFRMEGHHSA-N	486.322	3.197	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)Cc2ccccc2)cc1	59443646	YUHOELXYLQQTCE-WGOQTCKBSA-N	478.574	3.295	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccccc2)cc1	408783157	KRPWHIUFORUFCY-JJIBRWJFSA-N	453.520	3.137	50	40	JGGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408837256	BADRJJZPEACVHA-VULFUBBASA-N	462.453	3.446	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)c(Cl)nc2c1	408880162	DSUCCHABTXLFDQ-WYMPLXKRSA-N	474.970	3.430	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1	409252134	QSSATZCGSAHHFX-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
COC(=O)c1cc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1	3328697	NIHSRYFHHDVKCW-UHFFFAOYSA-N	470.265	3.308	50	40	JGGB	
COc1cc(/C=N/NC(N)=O)cc(I)c1OCCOc1ccc(C)c(C)c1	8952234	IIUROIIBNCVNJD-SSDVNMTOSA-N	483.306	3.377	50	40	JGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1OC	12275165	TWUYYUIZWFSVES-PUAOIOHZSA-N	498.557	3.373	50	40	JGGB	
O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)NNC(=O)c1ccc(Cl)cc1	12491006	QWOYFYDXBDBPJL-UHFFFAOYSA-N	472.983	3.425	50	40	JGGB	
CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1OCC	14242249	CJPRVYUWGNRXHK-UHFFFAOYSA-N	459.568	3.005	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1	20209451	FOOOKBZMXCKIIR-WSDLNYQXSA-N	476.898	3.425	50	40	JGGB	
C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	32985951	HORZTWODXRDQFC-JIEKGTPASA-N	474.410	3.024	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC1	58884305	LDQXPFNIEQJAPK-MTDXEUNCSA-N	473.577	3.210	50	40	JGGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccco1	102188575	MKWHZFPIZWRBDA-KKNJHRACSA-N	496.945	3.203	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	409061705	GIJKVIDQAPUPLE-CVKSISIWSA-N	469.538	3.484	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(Cl)cc1	409253438	GDCQCKLTHHBUON-VSRRSJTHSA-N	474.945	3.121	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	1089339	RGDUALKXPFEMTC-SSDVNMTOSA-N	471.315	3.432	50	40	JGGB	
CCOC(=O)[C@@](NC(=O)CCl)(Nc1sc2c(c1C(=O)OC)CCCC2)C(F)(F)F	2354937	ACACGTVEHDYYRD-MRXNPFEDSA-N	456.870	3.002	50	40	JGGB	
O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	3360230	KNRYNJIENHMUQV-ZZIIXHQDSA-N	458.481	3.176	50	40	JGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(Br)c1	12289886	KESRWHPSMPVLPK-KBPBESRZSA-N	455.349	3.164	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OCC	20209513	SVPYOXCZSCGYNU-LPYMAVHISA-N	453.948	3.054	50	40	JGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C#N)c1C	33398269	CHGHOAFHXWFWAZ-YIXHJXPBSA-N	453.432	3.461	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(F)cc2)Cc2ccccc2)c1	34837424	AFBWMDGOLFRBBG-YSMPRRRNSA-N	485.537	3.184	50	40	JGGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1	58881911	GDFCCMQCQNPWIN-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	58917307	HZGOHZYNHAUQMS-AKBALMBVSA-N	488.588	3.472	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)CC1	408973843	VSTSYWQXNPVWHW-MTDXEUNCSA-N	473.577	3.210	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2OC)cc1	409026971	LCUHMYCTPITCMS-HYARGMPZSA-N	459.549	3.111	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1	2173175	WWDIFGGEPQBRQB-MFKUBSTISA-N	472.954	3.479	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OC(=O)c1cccs1	2632563	KKNSEIOHDROXMB-AUEPDCJTSA-N	452.414	3.342	50	40	JGGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)COc1ccc(C(=O)c2ccccc2)cc1	9546035	NYFBTOVHOXNNHQ-UHFFFAOYSA-N	456.502	3.056	50	40	JGGB	
CN(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(F)cc1	16187195	FADDLCLLYUJIPD-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1	16576845	SHVWUQIBZCVXEO-RBOWJTOYSA-N	472.545	3.270	50	40	JGGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1	16593690	VOBKMLNFPJQNKU-INIZCTEOSA-N	463.625	3.224	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	19950922	VKQRBZBVONJSRS-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC	59333083	VFFOXYAZWGQZSV-PGMHBOJBSA-N	463.534	3.283	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1O	409114518	GQQOLSATAITZDD-CVKSISIWSA-N	485.537	3.271	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1C	409164673	LWOWHOOKGNGOEW-LGJNPRDNSA-N	458.946	3.341	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	409257804	QHCFPFWGNBCGHS-RDRPBHBLSA-N	486.528	3.035	50	40	JGGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3116395	NTUYMHIIXABGEL-LGJNPRDNSA-N	480.864	3.348	50	40	JGGB	
O=C(CCc1nc2ccccc2s1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	9665676	FZWQRJIGTQWQNU-UHFFFAOYSA-N	494.598	3.169	50	40	JGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCN(C(=O)c2cccs2)CC1	12689518	WQGDZHPSIHYRSB-UHFFFAOYSA-N	454.577	3.493	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1	17270455	CTLWLIXKUNUKRP-UHFFFAOYSA-N	475.473	3.239	50	40	JGGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408612259	YAEMBPYBVCWXPH-UVHMKAGCSA-N	465.893	3.414	50	40	JGGB	
O=C(NCc1ccccc1)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	408683334	LDUBGCUEOSPEQE-CPPNMTBBSA-N	469.335	3.126	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cccc(OCC(=O)O)c2)c2ccccc2)cc1	409001070	GKRJGHYKSOXRFO-LRULAXNGSA-N	495.557	3.018	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)Nc1ccc(Cl)cc1	409155839	DHXZPXRRSHJRHW-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
CC(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C(N)=O)cc1	13142139	DOKGMYXRWUTIJR-YQZDYSOMSA-N	484.625	3.070	50	40	JGGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1	59515651	BXSHCMNNHZCJGN-QPJQQBGISA-N	458.190	3.285	50	40	JGGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1O	408857844	PGEWOPHYIIVCMW-WJDWOHSUSA-N	489.313	3.261	50	40	JGGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)c(OC)c1	409061463	XJLGKKRXZHHNHV-NVJOKUIPSA-N	485.422	3.213	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1)Nc1ccc(F)c(Cl)c1	409164397	HZBVYIQAWAEJGL-WKULSOCRSA-N	496.926	3.306	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1O	9860941	ASJSJAPZKMZUMB-SFHVURJKSA-N	450.451	3.035	50	40	JGGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1	15225341	PIVJCQFBZHMAPH-DHRITJCHSA-N	460.918	3.215	50	40	JGGB	
Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/NC(=O)c1nn(C)c(=O)c2ccccc12	23219901	OTNUURCQBNINIM-BHGWPJFGSA-N	455.305	3.498	50	40	JGGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	58881349	PEJVTSBPDWUCCG-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	59639296	KODAFRMSMHLKEE-JMKVTYIUSA-N	462.491	3.251	50	40	JGGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	409116972	PWDAQAFYZXIQQE-DHRITJCHSA-N	460.506	3.289	50	40	JGGB	
O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409153511	DESZBNNXZYXCPP-CCVNUDIWSA-N	471.469	3.443	50	40	JGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	3094649	VPOINWFHYMGKDC-OEAKJJBVSA-N	498.473	3.272	50	40	JGGB	
COc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820461	AQNPYPWYDURGSY-FWANDEGBSA-N	467.572	3.304	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)c1C	408907750	QOWGRGGZAVTLNT-WSDLNYQXSA-N	481.416	3.048	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1	409166513	CVAVMJNIYCAGSR-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409192981	HSPLEWBVZAPQCT-ZROIWOOFSA-N	450.276	3.278	50	40	JGGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409302880	LGZGMVIQQCVHMQ-VQTJNVASSA-N	491.997	3.222	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2CCS(=O)(=O)c2ccc(C)cc23)cc(OC)c1OC	5846732	UINNHOHVSPYUAV-NRFANRHFSA-N	468.531	3.417	50	40	JGGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	8427094	BYAHUNFXIFEPHY-HYARGMPZSA-N	483.462	3.458	50	40	JGGB	
CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1	9425369	XDEWIKSVSLPYTO-UHFFFAOYSA-N	498.539	3.404	50	40	JGGB	
COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)c1	12276024	LLIATVXWSXRXTK-VOIUYBSRSA-N	468.531	3.364	50	40	JGGB	
COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NNC(N)=O)c1	13944040	JLPQMZOHOGHROX-DEOSSOPVSA-N	469.501	3.088	50	40	JGGB	
COc1ccc(OC)c(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1	16215235	SJFWKRKONLXOPO-JLPGSUDCSA-N	459.568	3.178	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	20231823	XFAKLGAHCLUDAY-OEAKJJBVSA-N	486.575	3.061	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC	59516071	OLYCCKSEFAKUDM-WPWMEQJKSA-N	471.554	3.090	50	40	JGGB	
C[C@@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	100162514	JLZLWNGCXISZCS-GESWCBNOSA-N	488.769	3.074	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1Cl	409025965	BZCUIWYDEVPSEB-DNTJNYDQSA-N	479.729	3.471	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1	409157013	PQCTYSXMFWORSN-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409231186	IOZBNILGBBMIRY-CHHVJCJISA-N	488.294	3.227	50	40	JGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1)S(C)(=O)=O	409346879	LSNJMMXUAAFDEL-WNAAXNPUSA-N	476.558	3.072	50	40	JGGB	
CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O	14250443	KAWYRRVSTSCYEH-UHFFFAOYSA-N	464.547	3.363	50	40	JGGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3ccn(Cc4cccc(F)c4)n3)c12	22714889	GFIVTONTEJVHSM-UHFFFAOYSA-N	478.557	3.169	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O	59922359	VHLUNYJGSTWDOK-VULFUBBASA-N	479.489	3.443	50	40	JGGB	
CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	100639048	BOFXGCJDOALRAH-UZYVYHOESA-N	466.450	3.039	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1	408783419	LDZOARSTGFAALY-PCLIKHOPSA-N	465.531	3.293	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	408788243	CWKKQOAQNRKPSJ-XIEYBQDHSA-N	452.536	3.216	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)cc1	409157807	WLTJSACOAORJDL-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1	409268893	ZFBJAKKCJZLNEV-BTIIEKFUSA-N	495.363	3.384	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Cl)c(Cl)c1	409270262	OJVCEDZDVNZFIK-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1ccnc(Oc2ccc(F)cc2F)c1	1671390083	DJATVKKFUFFDSU-UHFFFAOYSA-N	452.377	3.267	50	40	JGGB	
Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1cccnc1	2619047	YHHSRKIMWUDLEO-UHFFFAOYSA-N	462.510	3.330	50	40	JGGB	
CC(=O)O[C@H](CC1CC(=O)N(CN(CCCl)CCCl)C(=O)C1)[C@@H]1C[C@H](C)C[C@H](C)C1=O	4758082	WWVPKXABFDVWMX-LVFSCSRESA-N	477.429	3.062	50	40	JGGB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccc(Cl)cc2)C1=O	8819340	RLXIVVPFEKPAPI-ATVHPVEESA-N	475.979	3.401	50	40	JGGB	
C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)NNC(=O)c3ccccc3F)n2Cc2ccco2)C1	12699337	BIVNHVOPZGSKAN-HOTGVXAUSA-N	486.573	3.094	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(OC)c1OC	20232420	YFXWLLYEIDFECE-WGOQTCKBSA-N	497.573	3.443	50	40	JGGB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br	20287349	PEQGGOBNHXUZAP-UNOMPAQXSA-N	489.301	3.063	50	40	JGGB	
C[C@@H]1CC[C@@H]2N(C[C@H]3[C@@H]4C[C@H]5[C@H](C/C(=N\NC(N)=O)[C@H]6C[C@@H](O)CC[C@@]65C)[C@@H]4CC[C@H]3[C@]2(C)O)C1	70665746	UILOSARPFFZCST-ZVBATQTESA-N	486.701	3.342	50	40	JGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	98087055	XUJFERIBMTVJJH-AWNIVKPZSA-N	479.230	3.179	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408786593	LBGPPVMUKGKXHG-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
Cn1cnnc1Sc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	2657741	OEGGSOIVGRRPOH-SFQUDFHCSA-N	491.533	3.257	50	40	JGGB	
O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1	3167976	XQWIXGSJROBAPJ-FDCKDHBTSA-N	478.530	3.483	50	40	JGGB	
COc1ccc(C(=O)NN[C@@H](CNS(=O)(=O)c2ccc(Cl)s2)c2ccccc2)cc1	9438901	KLSQAEGBPZYXGB-KRWDZBQOSA-N	465.984	3.364	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1	9501231	GHKPOJAEJLOAEJ-VFAFIFLJSA-N	480.517	3.184	50	40	JGGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)[C@@H]1COc2ccccc2O1	13583428	PXIMVQZTUWUJJK-FDFSMXBESA-N	456.090	3.207	50	40	JGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2	15938426	GYDHQKNDYVGWDQ-SCDVKCJHSA-N	450.245	3.232	50	40	JGGB	
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2	16682536	DOMMPLDAKPRZRY-HXUWFJFHSA-N	476.514	3.408	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1Cl	20213081	ODZYUVHGYPCWFV-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1	58918393	ICLFXSBTPRJNHE-YZSQISJMSA-N	495.557	3.202	50	40	JGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	98086286	NXVVDNPLMUBBBZ-WLRTZDKTSA-N	479.230	3.179	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1	409262000	GUGDKDRRJLWAPP-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	8724071	CWIZXXPPQVRRDL-UHFFFAOYSA-N	498.539	3.268	50	40	JGGB	
C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	14923562	KGSMCCANYWFMNT-SRZZPIQSSA-N	478.259	3.329	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)c1ccccc1	16248417	PVZGBPAZDOROHO-ZVHZXABRSA-N	451.504	3.145	50	40	JGGB	
CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl	408644180	DWUKBEJCJORIII-UHFFFAOYSA-N	459.930	3.188	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1OC	408782305	GUQRVTKEDXLGKV-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nc3ccccc3c2=O)cc1	1279436	RNYFXGGDAPAKBP-VULFUBBASA-N	488.525	3.335	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	2253070	KOHCDDUZCGQUSV-NRFANRHFSA-N	482.581	3.133	50	40	JGGB	
CCOC(=O)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1	9335500	SLUJLKQMTCRVJX-UHFFFAOYSA-N	472.567	3.442	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	19955991	ZLJHKNXGCCMIRC-WGOQTCKBSA-N	494.573	3.308	50	40	JGGB	
O=C(COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1)c1ccccc1	408687523	UNCFYMWWEADKKV-YBZCJVABSA-N	498.329	3.236	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409027319	AAOZHBYBYBMPDT-MFKUBSTISA-N	485.949	3.472	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409134598	SINFTMHYPAMDEG-RTBURBONSA-N	455.923	3.450	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1	409259258	YGFKBDNKOFIWJB-YEEYNWEUSA-N	458.946	3.339	50	40	JGGB	
CN1/C(=C\C=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C(C)(C)c2ccccc21	9635497	CIEKSGTZGVFVHY-XQKDZLMBSA-N	452.580	3.498	50	40	JGGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1	12735301	XBMUTQSVYFVKAO-UHFFFAOYSA-N	468.531	3.143	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926193	YZQHNCKQEIKFHQ-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	28214034	XVVUTWLJIISPPW-VULFUBBASA-N	451.454	3.381	50	40	JGGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(Cl)cc1	33370768	BUPUNFJPXKVEMH-FSJBWODESA-N	480.746	3.104	50	40	JGGB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)c1	409162981	KFUAJGVOJADAHM-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1	409166499	DZLXBDZGHMNGBN-AUEPDCJTSA-N	495.761	3.095	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409259252	YFSRNSZBTGLFOL-KKMKTNMSSA-N	498.923	3.034	50	40	JGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(I)cc(C)c2O)c([N+](=O)[O-])c1	9355320	XVOJGRFDURZEHI-UFWORHAWSA-N	469.235	3.051	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1F	9980782	BFXJLXXNBJEXTG-WOJBJXKFSA-N	453.495	3.244	50	40	JGGB	
CC(C)CC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1	12763204	VCQFQQDDWJJSAN-UHFFFAOYSA-N	454.346	3.057	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)cc1	12833741	ZORMWOBWBZWJTR-LBPRGKRZSA-N	482.591	3.026	50	40	JGGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1OC	13305684	HXGNKTAWHHILGD-YECNXHJRSA-N	490.472	3.239	50	40	JGGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccco4)n12)CC[C@H](C)C3	13499826	IFZCGXLQJHWLLX-NSHDSACASA-N	470.580	3.173	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1	15018705	XYOYGDQFRQWDLG-ZVHZXABRSA-N	476.371	3.209	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccc(C)cc2)cc1Br	16292563	QUBSFIXYFZOAFC-UHFFFAOYSA-N	468.373	3.473	50	40	JGGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1	33792224	ZWQGJFXAKFBUTB-QRVIBDJDSA-N	490.379	3.382	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)c(=O)c1C#N	408997548	HCNIOIMHKYEKDB-BCHBDCPOSA-N	496.907	3.025	50	40	JGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)cc(OC)c1O)c1ccccc1	409004907	YFXXYEJQNZPEHW-LTNVFZTJSA-N	464.316	3.491	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1	409131706	WOCXYWFSTDPVRC-RBUKOAKNSA-N	455.923	3.450	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	409262441	DQMSGCGXYUFFIB-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(OC)cc1	639107	KYQWTZNZVCGKGG-LEWJYISDSA-N	465.531	3.113	50	40	JGGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c2cc(Br)ccc21	2312420	QBQXFWDCNWPFPH-KZLURRSOSA-N	496.361	3.387	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])c2)cc1	3213813	RBJHNABHLHFRAI-HYARGMPZSA-N	454.464	3.168	50	40	JGGB	
C/C(=N\OCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCO2	12787873	VGADJRJVZUDIHT-FDAWAROLSA-N	497.511	3.470	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1OC	20499700	QATNLBLKHBSZCN-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1	33489628	RFLZXUFVEDGXEI-MSXFZWOLSA-N	454.435	3.103	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3OC)cc2)cc1	58881723	IRIDUTFMINGWAO-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)Cc2ccccc2)cc1C	108949618	LMHLFRHHDPDNBO-UCQKPKSFSA-N	457.577	3.406	50	40	JGGB	
CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	123440717	SUYDMLDXAOBPDP-KQFOORDDSA-N	483.399	3.014	50	40	JGGB	
O=C(NCc1ccccc1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408682163	JCGFEGKQBYDRFA-MUJBESKKSA-N	469.335	3.126	50	40	JGGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)Cn1cnc2sc(CC)cc2c1=O	1784433	BHJDSSVUUJFYGN-LSFURLLWSA-N	463.357	3.332	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	4209668	MTEJTORARHIRCF-WPWMEQJKSA-N	462.502	3.023	50	40	JGGB	
Cn1nc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2Cl)c2ccccc2c1=O	12802106	UOKHMJGLXVFKDN-UHFFFAOYSA-N	462.893	3.241	50	40	JGGB	
CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1	15600236	HOYMNSOQTPTSJB-UHFFFAOYSA-N	474.542	3.159	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(OC)c1	17397119	XGFIUDQMWGTWDC-UHFFFAOYSA-N	489.937	3.233	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408611256	QLGDJWOJJBPQEO-VFADJPBRSA-N	450.322	3.318	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccccc1Cl	408643958	CJLONUWDZCOUKH-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	409126156	AXUXCSXXDBDAIV-ZMOGYAJESA-N	489.550	3.312	50	40	JGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(O)c(Br)c1	409180849	SNKBYHQQDVXXLA-UFWORHAWSA-N	474.096	3.322	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409257194	OUWKDPSCQLGJJK-HURLIOHXSA-N	474.945	3.039	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl	409262895	KNIRYSRZZKGKGP-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(N)=O	409266153	JZKYZNYPLKSAIY-AFPJDJCSSA-N	454.708	3.129	50	40	JGGB	
C[C@@]1(C(=O)NNC(=O)c2ccc(Br)cc2)CC1(Br)Br	2345383	BHTVGVHLVBGYIG-NSHDSACASA-N	454.944	3.106	50	40	JGGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NNC(=O)c1ccc(F)cc1	2618224	IPNSHQJJCRODFL-UHFFFAOYSA-N	466.469	3.217	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)NCc1ccccc1	9233183	VNPUPGXXNORHLU-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc(OCc2ccccc2)c1	34856813	UYPAFUJTAGCZGY-ITYLOYPMSA-N	465.575	3.220	50	40	JGGB	
O=C(N/N=C\c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O	35935826	UXBYQJIQRYVDEN-DZWUWFSDSA-N	456.094	3.290	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)cc(OC)c1OC	59523135	AOJNHIOUOVKGOR-FSJBWODESA-N	471.495	3.269	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	409171254	YZWFBTUFCSXKIC-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1I	670856	FWYIJHXTYWWCAI-UHFFFAOYSA-N	475.080	3.137	50	40	JGGB	
CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)CSc2nc3ccccc3s2)cc1	3366277	KNMHBVSZQQZEIL-UHFFFAOYSA-N	456.593	3.263	50	40	JGGB	
O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)CSc1nc2ccccc2s1	9507112	KXZOBSUYBRSYNR-UHFFFAOYSA-N	464.572	3.048	50	40	JGGB	
O=C(CSc1ccccc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1)NCC1CCCCC1	9671724	CZHYPHFVJWENOR-UHFFFAOYSA-N	497.543	3.152	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1	16576840	SHVWUQIBZCVXEO-CYBMKAQISA-N	472.545	3.270	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	16691419	IXYMYGNVSPYWOU-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2C)cc1	20059951	LDEYDAPITUYMTR-AFUMVMLFSA-N	465.531	3.378	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2C)cc1	20060005	DLDFPXBDNHOCSS-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
O=C1NC23C[C@@H](Br)[C@@H](Br)CC12C[C@@H](Br)[C@H](Br)C3	104277964	KPGFGUJLASAUPU-KWGZYPAYSA-N	494.847	3.483	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1Cl	408537478	VQZACASZMHFUKT-WAXRZFIUSA-N	498.120	3.371	50	40	JGGB	
CC1CCN(C(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)CC1	408680780	GOEHBLHDTZAGRC-VWQYPGANSA-N	461.356	3.068	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1	408906847	JBNGMXFAUQKXSC-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1	408923214	UKTZOHMDEOMKJV-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409170053	SDJKPVCUUOIYHP-KBKYJPHKSA-N	495.363	3.242	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409268909	ZMABUGLCVQFWEB-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C)cc2)cc1	6601242	CCKORHAGYHEESO-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
O=C(NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1)c1ccccc1	8826150	FDGQEVKNRDGPIR-UHFFFAOYSA-N	480.365	3.386	50	40	JGGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)C(=O)Nc3ccc(C)cc3)c3ccccc3C2=O)cc1	9127307	LZESWAXALGATGG-KQWNVCNZSA-N	484.512	3.181	50	40	JGGB	
CN(NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1)c1ccccc1	9669387	VDHVULRIXHQHSZ-FQEVSTJZSA-N	465.579	3.280	50	40	JGGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N[C@H]1CCS(=O)(=O)C1	13037738	ABSBSHIPKPFBIW-YWFITGJYSA-N	472.526	3.496	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	16186875	YNDBAUVOGTUHRD-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1	59435861	UDXDSYCTHGLJKC-AFUMVMLFSA-N	485.949	3.379	50	40	JGGB	
O=C1NC23C[C@H](Br)[C@H](Br)CC12C[C@H](Br)[C@H](Br)C3	101042848	KPGFGUJLASAUPU-OTXOHYFZSA-N	494.847	3.483	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1	408927094	XYGAIGZEQALORS-WGOQTCKBSA-N	495.557	3.275	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccc(F)cc2)cc1	409056731	HYKOPEYEWQYFRM-AFUMVMLFSA-N	455.511	3.181	50	40	JGGB	
Cc1c(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409064411	GYZNJUZPTINDHC-RAWMCFOBSA-N	470.367	3.104	50	40	JGGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(OC)c1O	2744679	GGHGHDRTSHCOQX-ZMOGYAJESA-N	452.540	3.033	50	40	JGGB	
CCOC(=O)NC(NNC(=O)c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F	3082550	KGXSQWRRTQWTTP-UHFFFAOYSA-N	452.149	3.251	50	40	JGGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O	3644110	AMPIPQPGXMFGHM-NTCAYCPXSA-N	483.322	3.227	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1	19953743	SYGZDTWFRAVFPP-CNRHGSOZSA-N	468.373	3.153	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C)cc2)cc1OC	19955595	KWVVJFCNQGYGSB-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O	20209006	BQGSICINNCYQOH-WSDLNYQXSA-N	482.400	3.497	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)cc1	408823452	DICZHHNQWBZXBW-MSXFZWOLSA-N	465.535	3.095	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1	8721621	HQMJCADAOVWVAA-DHRITJCHSA-N	479.562	3.362	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1cccc2ccccc12	9292231	LDFYOAGNJMQLDE-JVWAILMASA-N	481.520	3.176	50	40	JGGB	
CCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccc21	16844348	JQFYGYTWZNFXHV-XAYXJRQQSA-N	471.542	3.320	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1Cl	20213249	KAXQFMVHCPYMHM-WSDLNYQXSA-N	453.948	3.052	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3c(C)nc4ccccn34)cc2)cc1	58872731	XZZUHOYRSIRGOO-CVKSISIWSA-N	457.490	3.433	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NCCc1ccccc1	58881193	PIHKTFKPCOJNSY-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)Nc1ccccc1Cl	59959717	GCFJWRICPGHMBZ-AFUMVMLFSA-N	456.930	3.257	50	40	JGGB	
C[C@@H](C(=O)N/N=C/c1ccc(C(=O)O)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026120	GWTBLMSIQLKRKN-XUANBZSPSA-N	481.530	3.482	50	40	JGGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409223492	FRKJMHGNZSFWED-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	3116193	XVKZKVPAFICUNJ-LGJNPRDNSA-N	480.864	3.348	50	40	JGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2)cc1	9411740	DLDOCWUDMGEOFC-KRWDZBQOSA-N	453.520	3.423	50	40	JGGB	
O=C(NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1Cl	9591311	YPBPFFZRPADUHH-KBXCAEBGSA-N	481.307	3.396	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc(OC)c1OC	39986444	MVQJQHMRIQNQRG-XYGWBWBKSA-N	489.594	3.186	50	40	JGGB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)C2=O)cc1	408536484	RQPMMBPZHMIRAP-FEGPCZTRSA-N	497.511	3.171	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC	408727925	ZMZMJPGKILXEHQ-RGVLZGJSSA-N	454.264	3.471	50	40	JGGB	
O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c(I)c1	408738212	SDUJFXYXBIKWNC-GIJQJNRQSA-N	459.081	3.452	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c2ccccc2)cc1	408834427	ZVFYSKBHGQVVQN-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	408906458	BPYOTFVYVVGMLE-GKXUUXLPSA-N	463.288	3.165	50	40	JGGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409327817	WQWTXVYGKWZSKS-GJZGRUSLSA-N	473.334	3.036	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	3079967	MIHFCFGUHCXDCG-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2c1	9381817	CUKIAPLWVANUEW-CQSZACIVSA-N	460.581	3.482	50	40	JGGB	
CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NNC(=O)COc1ccccc1Cc1ccccc1)(C3)C2	16592776	UMVCVAHVXIEJCL-LDCALFFHSA-N	475.589	3.279	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59427919	HTCBRMLZJQBJMZ-WGOQTCKBSA-N	479.558	3.123	50	40	JGGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1	195989294	KPNSXQNKDQMBAW-OJAHFUOMSA-N	485.730	3.040	50	40	JGGB	
CCCOc1ccccc1/C=N/NC(=O)COc1nc(C)c(Br)c(COC)c1C#N	408603591	RVJCYLHGILCXLE-BHGWPJFGSA-N	475.343	3.489	50	40	JGGB	
Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl	408648696	YHOCLWHGCDLRGG-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(O)c(I)c1	408904776	OLCIENYENHADJL-QGMBQPNBSA-N	475.080	3.288	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OCC	408923372	WSDIYBKQTQCTKZ-WLXKGNRNSA-N	489.594	3.354	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	409158161	WTCJCSZFZMSBNF-KBKYJPHKSA-N	495.363	3.304	50	40	JGGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)ccc1I	409186687	GNEWGNKDTQAAAX-JJFYIABZSA-N	496.301	3.394	50	40	JGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)c1OC	2251110	UHBGQFHNSWYQEE-JOCHJYFZSA-N	473.485	3.169	50	40	JGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1	2378185	VAENBERGUNYIAP-LGJNPRDNSA-N	468.477	3.134	50	40	JGGB	
CCC/C(=N/NC(=O)C(N)=O)[C@@H](CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1	5889439	TXLBRGLHDVCRNH-DNSKHCECSA-N	478.593	3.349	50	40	JGGB	
CCCCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	9376314	YMWAWZDTWDDRAX-UHFFFAOYSA-N	497.621	3.015	50	40	JGGB	
C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NNC(=O)c3ccccc3F)n2Cc2ccco2)C1	12699320	BIVNHVOPZGSKAN-HZPDHXFCSA-N	486.573	3.094	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1	12806754	OXLGWUAZRYEDCZ-UHFFFAOYSA-N	463.519	3.148	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1	13647781	BIFXQVZHRCJXDO-PHJXOXRPSA-N	490.585	3.457	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1)c1ccccc1	20059208	IHSWCEVJZILGQW-BUVRLJJBSA-N	451.504	3.115	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccs2)cc1OC	408982522	YHLXIMUKMIFATF-LFVJCYFKSA-N	487.603	3.149	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl	409157773	WKHYMUNZCSSTGF-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)c1	409161816	ZLFDOEHNHSFZAB-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
C=C1CC(C(=O)N/N=C/c2cc(I)cc(I)c2O)C1	409331891	DRJOFOJPWSCIEU-OMCISZLKSA-N	482.059	3.018	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)CNc2ccccc2)cc1OC	409374909	BJOVOXZCFNFXPL-SRZZPIQSSA-N	453.280	3.261	50	40	JGGB	
CCOc1cc(/C=C/C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1OCC(C)C	9491611	FPZBCRRULBIDKK-ACCUITESSA-N	450.539	3.410	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(O)cc1	12082356	GXZJCEMBGWSVIK-ATVHPVEESA-N	475.979	3.488	50	40	JGGB	
COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1	12895045	OYPLUKXJVBDZLQ-OAHLLOKOSA-N	450.582	3.309	50	40	JGGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)NCc1cccnc1	13124061	RAYGEICROPGSGZ-UUASQNMZSA-N	498.326	3.460	50	40	JGGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccnc1	13943041	VQNOMEFPVLFKPW-OEAKJJBVSA-N	479.400	3.318	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	408775171	FLFKHSYBKVDDMI-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	408777521	BGHPCPYYKPCCEY-KSEXSDGBSA-N	495.344	3.154	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)c1	408856180	BJGAKRQKZZQRJW-MFKUBSTISA-N	468.579	3.327	50	40	JGGB	
COc1ccc(/C=N/NC(=O)COc2c(Br)cc(OC)cc2Br)c(O)c1	1445342	AZACHTAJOUKVHC-DNTJNYDQSA-N	488.132	3.464	50	40	JGGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@@H]3c3ccccc3)c2)cc1	36040353	AORJSSQLZULXBU-ATFARPJISA-N	483.524	3.294	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O	59444243	GMCOFPHEAKYGTB-AFUMVMLFSA-N	485.949	3.379	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59516162	YTSCRLZBOSFQCT-PCLIKHOPSA-N	451.548	3.345	50	40	JGGB	
O=C(Cc1cccc2ccccc12)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	408739803	AQYFXDPWLOCNDB-HUHXJTTESA-N	464.934	3.202	50	40	JGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1	408890676	XMNGCVMWEZWTLK-GXDHUFHOSA-N	468.447	3.056	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCC(=O)O	408905137	UELYGSDXMSDWEX-DNTJNYDQSA-N	488.665	3.181	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408977082	CUJDBMNFTATTHX-OLCUMFGGSA-N	466.519	3.463	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409157468	MTVFTNUVPDKIMF-UVHMKAGCSA-N	488.972	3.287	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)ccc1OC(C)C	9305433	OJGQMTCBJRLPCG-HLQTZPMBSA-N	456.499	3.295	50	40	JGGB	
Cc1c(Br)ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1C	408643560	AQWMXSUDHITKHE-UHFFFAOYSA-N	490.354	3.179	50	40	JGGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	408875499	GCSQLJRFHFJEMK-VULFUBBASA-N	462.453	3.446	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(C)cc1	408906615	IMTMILQJCDKHKJ-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)cc(I)c1O	1092641	TXMJUTBKDJNPSI-KEBDBYFISA-N	454.264	3.233	50	40	JGGB	
Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2cc(Br)cc(Br)c2O)cc1	1633094	UJYUMVVFXITEMN-CHWSQXEVSA-N	489.551	3.335	50	40	JGGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3)c3ccccc32)cc1	2218170	CKRIXEQDUCEUQI-VHXPQNKSSA-N	450.498	3.479	50	40	JGGB	
CCOC(=O)N1CCC(=NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1	9373405	XJPZOAQYELAANB-UHFFFAOYSA-N	486.594	3.154	50	40	JGGB	
CCCCCCn1nc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2c1=O	9980939	ZHPQMLDAFRZANM-UHFFFAOYSA-N	484.940	3.248	50	40	JGGB	
O=C(NNC(=O)c1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	12912735	GABKTGHFLQOTHM-UHFFFAOYSA-N	465.531	3.338	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1	33538153	MYAYSTFJTCOVGD-MYYYXRDXSA-N	496.545	3.253	50	40	JGGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1OC	40486396	OURACXHQSBRIMW-RTWAWAEBSA-N	483.521	3.334	50	40	JGGB	
O=C(N/N=C/c1ccccc1I)c1ccc(I)c(O)c1	408550691	JADXGLAEFXOXQP-CAOOACKPSA-N	492.054	3.365	50	40	JGGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408852394	KFOIUYIMPPBMAB-QRXLRCHTSA-N	467.327	3.086	50	40	JGGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	409259394	YVFAOZYVTHKSDB-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1	409263828	MUENFUACAYZTIH-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	409264900	LQVKWGHOBYHUHK-FCUAXUHVSA-N	474.945	3.039	50	40	JGGB	
CSc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(SC)cc2)C=3C#N)cc1	2346742	FUXCMQMLIWQMIT-IQKNENRKSA-N	474.636	3.305	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	58884397	BEIHWCFHKGLAQW-XTFCHBONSA-N	488.544	3.430	50	40	JGGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1	101317639	IMDUCHZVGXOYCB-QNWGQDPCSA-N	450.969	3.106	50	40	JGGB	
COc1cc(C(=O)NN)cc(I)c1OCc1cccc(Br)c1	226326795	XVAMUBFMGYSEOD-UHFFFAOYSA-N	477.096	3.245	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409159675	WEDOCNILNWRQHH-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409160029	SCGLSYWKTACBSY-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409232850	BVSVPTLRXKBIFO-AUWJEWJLSA-N	489.282	3.437	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1	409260290	OCMVHEKEEBIIGG-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409262881	GBBXQAHITBHDRK-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1	409344217	IDJXOQIASLIZMS-SLEBQGDGSA-N	496.976	3.341	50	40	JGGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	2227671	ZROKTXANUZHJFP-FCQUAONHSA-N	465.469	3.379	50	40	JGGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	2240390	NZUKSXFKPWDIMD-JOCHJYFZSA-N	478.574	3.283	50	40	JGGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1	8798583	WOSQZBJMDKVWMZ-UYPHOHSBSA-N	473.308	3.269	50	40	JGGB	
Cc1ccccc1C(=O)NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	9591347	OWMWWAHVYKJPAA-LPHOPBHVSA-N	460.889	3.051	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F	22687918	SKVZBPFBYXWNAD-GAPPKZSKSA-N	499.608	3.079	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccccn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332882	MAFPMZXFWPXWJT-YWUCIWQNSA-N	474.554	3.229	50	40	JGGB	
Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc(C)c1Br	408648553	ZDXDBEVHQFOYSQ-UHFFFAOYSA-N	490.354	3.179	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCC(=O)O	408905188	UWNWPBYTUPXZHD-KSEXSDGBSA-N	453.407	3.305	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1	409150260	BDAHPSKYQPYYBJ-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409173245	OEKVAKPKHYOFJV-BRJLIKDPSA-N	474.945	3.039	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1	3089006	SMKOLLRZQHISNU-YZSQISJMSA-N	462.531	3.303	50	40	JGGB	
Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NNC(=S)NCc3ccccc3)c12	8782507	MZLDVEVSKDIPOM-UHFFFAOYSA-N	475.534	3.161	50	40	JGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	9087954	QZZDGCXIUCTWQT-FSJBWODESA-N	450.326	3.170	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OCC	20212918	RWCHZXIOUWMVJM-YDZHTSKRSA-N	467.975	3.362	50	40	JGGB	
COc1cc(C(=O)N/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)ccc1I	100293971	GHDAIYLDFSRJAZ-FPQGOQEYSA-N	476.274	3.054	50	40	JGGB	
O=C(N/N=C\c1cc(Br)cc(I)c1O)c1ccccc1O	104132755	OHSLVVFHRWAEAC-IDUWFGFVSA-N	461.053	3.229	50	40	JGGB	
O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1cc(Br)ccc1O	408732290	TXMPXSQJYKEFMB-ZVBGSRNCSA-N	494.758	3.605	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1	409249121	IOADQYYXLCJURI-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1	2257734	DLPZMLHEIXBCKJ-QHCPKHFHSA-N	459.502	3.449	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1	3200512	GADAZWFVXMXGHE-NLRVBDNBSA-N	494.573	3.097	50	40	JGGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccccc1OC	4207653	YDTKDKIXAIIYMK-WSDLNYQXSA-N	452.305	3.316	50	40	JGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccc(Br)cc1	58912377	ZCJSBUPJBDBUTG-DHRITJCHSA-N	454.328	3.018	50	40	JGGB	
COC(=O)C1=C(C)NC(CBr)=C(C(=O)OCCCl)[C@@H]1c1cccc([N+](=O)[O-])c1	68605207	NJQFKBFAFPOGAP-OAHLLOKOSA-N	473.707	3.160	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(C)(=O)=O	408772321	OAMHFNMLKFMXNL-KGENOOAVSA-N	452.374	3.318	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl	408824780	AIPQFTVKUVBIHI-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1O	408921880	KCKAYMSJTTWOQB-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409042602	YOCXOHWBZBVQCF-XNTDXEJSSA-N	488.456	3.247	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)c1	2419631	VUWNPZKFIPESOE-KBKYJPHKSA-N	486.414	3.081	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1-c1cccs1	2450016	FEOXPRIXJFMYPA-DHRITJCHSA-N	486.517	3.304	50	40	JGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cccc(I)c1	13562677	MDBWSPNBJURKTE-WSDLNYQXSA-N	479.274	3.197	50	40	JGGB	
CC/C(NNC(=O)c1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC	19894245	AVTSKZSZYFSVJZ-HMMYKYKNSA-N	463.519	3.161	50	40	JGGB	
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NC[C@@H]4CCCO4)cc3N2)cc1C	20613828	BFEAXHOGVSHWQR-JZXOWHBKSA-N	496.559	3.448	50	40	JGGB	
O=C(NNc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	62626010	KUFAEFUXKCRWRN-UHFFFAOYSA-N	485.484	3.021	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408748747	HASYNGBIOCSMBQ-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1O	408761858	BVCZIGIRGHUFNY-GIJQJNRQSA-N	455.208	3.068	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1	409261620	BZSUAQRJNLNQIS-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cc(C)ccc1C	409262385	HFXLYJZUNJONFT-NEOOYVHHSA-N	468.554	3.084	50	40	JGGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1	409262810	HOCKLADERJAYHI-WNFQYIGGSA-N	469.133	3.148	50	40	JGGB	
Cc1ccccc1NCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	1052616	PFNRXGFTBQWLMK-UHFFFAOYSA-N	466.133	3.405	50	40	JGGB	
O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)C12CC3CC(CC(C3)C1)C2	9849691	WDJVKBGENLVYLC-UHFFFAOYSA-N	454.354	3.312	50	40	JGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OC)cc1OC	408911530	ZUIXPAVZWLIBOQ-WQGFDPGOSA-N	478.343	3.274	50	40	JGGB	
CC1=C(/C=C/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)C(C)(C)CCC1	4482093	XBVDHAKNNJGXQV-JUWNEVKWSA-N	481.605	3.407	50	40	JGGB	
COc1ccc(/C=C/C(=O)N[C@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)C(C)C)cc1	8824096	QUBCURKYQYBQSO-MURVUTHMSA-N	474.517	3.234	50	40	JGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCCn4ccnc4)c(=O)c32)cc1OC	9124177	WQIRXEVLZVFZRZ-JOCHJYFZSA-N	461.522	3.069	50	40	JGGB	
C[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	12584154	JUJLWMHYYWIECY-CQSZACIVSA-N	461.590	3.491	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccccc2)cc1	16321342	OVWOZNCINXFOGR-OEAKJJBVSA-N	470.576	3.048	50	40	JGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C\c1cc(O)c(O)c(Br)c1	33154754	YDRUVWKKQWORQG-GXHLCREISA-N	474.105	3.161	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccccc1F)Cc1ccccc1	34864203	OQLANALHFXASAP-YSMPRRRNSA-N	469.538	3.484	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	59246529	IYMIYDGUCGIMJG-FMCGGJTJSA-N	466.763	3.464	50	40	JGGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)Cn3c(C)cc(COC)c(C#N)c3=O)c2c1	409007941	SDGVWHMTXKPVLO-CCVNUDIWSA-N	476.533	3.276	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OCC)c1	409158204	QWMFUWOUUNNCPO-RPPGKUMJSA-N	495.363	3.386	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1	409250382	KRBIUSAKJMPHMA-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O	2194102	DOONIUUTKIREGE-SAPNQHFASA-N	450.470	3.384	50	40	JGGB	
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	13070938	NTBGKSNWDUKZHT-UHFFFAOYSA-N	473.639	3.158	50	40	JGGB	
COc1cc(Br)c(Br)c(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O	13563855	PUUWRIOMFDHTKR-ZFDKXDDWSA-N	486.116	3.216	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1	409262936	JPUPPGOUISZOFQ-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
COCCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1	8884435	FFUDAXPBHVVZRO-UHFFFAOYSA-N	480.377	3.452	50	40	JGGB	
C[C@H](c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C	9101763	ZEJARIBSWHWXIE-CYBMUJFWSA-N	476.965	3.236	50	40	JGGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)[C@H]1COc2ccccc2O1	9272496	PXIMVQZTUWUJJK-TZFWNBKVSA-N	456.090	3.207	50	40	JGGB	
C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)C1CCN(C(=O)C(C)(C)C)CC1	9778516	QDIYCNZAVBURAO-SFHVURJKSA-N	479.577	3.117	50	40	JGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1	20214715	RQRAGTVKRHUYSP-JZCUADNKSA-N	451.548	3.252	50	40	JGGB	
COc1cc(C(=O)Oc2cccc(/C=N\NC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC	30707893	WECYZNXORZPUIW-ZMFRSBBQSA-N	478.457	3.424	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	58881567	JWUJSNKSIVAOTC-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408607811	DZSHELSHSACBGE-CVHZQBDDSA-N	450.322	3.318	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc([N+](=O)[O-])cc(Cl)c1Cl	408719780	RVIQVSPNIJQUJT-IFRROFPPSA-N	454.661	3.359	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(Br)c1OC	408973683	ONGZDLUYPCACOK-GEVRCRHISA-N	450.318	3.126	50	40	JGGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2O)cc(OC)c1OC	409037122	XMUXWEGTWZPUPP-OUKQBFOZSA-N	492.484	3.112	50	40	JGGB	
Cc1cc(C)c(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(Br)c1	723712	ANGPAPNVXFZPAL-IFRROFPPSA-N	450.245	3.232	50	40	JGGB	
CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1	9969860	ITEPYBODOLASNS-HXUWFJFHSA-N	464.547	3.216	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1C	20208677	MGWYSMVHBNQRJB-YDZHTSKRSA-N	470.507	3.388	50	40	JGGB	
CC(C)N1C(=O)/C(=N\NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c2ccccc21	102977723	PGTMLGBQANVYJO-VYIQYICTSA-N	465.517	3.278	50	40	JGGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)Nc1ccccc1	408657159	GKGDXVRFDYUWDH-YBZCJVABSA-N	487.339	3.452	50	40	JGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	408997610	NNEBBCMTAGTSHC-WSDLNYQXSA-N	478.377	3.427	50	40	JGGB	
COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)c1OC	409062431	UTMYRGQGRUNLTP-ZRGSRPPYSA-N	465.897	3.156	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2)cc1	409165664	ATUDRPRLWJPLTB-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OCC)c1	409169381	PWRVWNUEWJIOGU-JFLMPSFJSA-N	468.554	3.086	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccc(Cl)c(Cl)c1	409252091	SHOKYWGUPSNQFT-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)cc(OC)c1OC	725609	DDGXTXRHXXQGLX-QVGKIPNLSA-N	464.474	3.115	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])c1O	1087031	XWOGPSBUSKDQQN-ZVBGSRNCSA-N	474.271	3.080	50	40	JGGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1c(F)c(F)c(F)c(F)c1F	2747930	KEVFMHWNELUZEI-MBAGFTIUSA-N	456.396	3.183	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1O	19949363	RHMCZRXEYLIKSA-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1cccc(Br)c1	58912346	VSWTUKVNPKUSLJ-DHRITJCHSA-N	454.328	3.018	50	40	JGGB	
O=C(N/N=C(\C1=Nc2ccc(Cl)cc2N[C@@H]1O)[C@@H](O)/C=C\c1ccccc1)c1ccncc1	104291236	LEKNKTRSTKTQQF-CETFCIEPSA-N	461.909	3.412	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	109859612	DNKXKXJTGYNEOH-SQEMJAKJSA-N	497.511	3.171	50	40	JGGB	
COc1cc(C(=O)Nc2cc(Cl)ccc2[C@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC	256028038	PQNIBEXNAVLJDN-HSZRJFAPSA-N	498.967	3.287	50	40	JGGB	
CCOc1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1I	408905243	VUVQNIWVPBYOMW-MTJSOVHGSA-N	467.307	3.285	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccc(C)cc2)cc1	408925194	NLPGTDXEEYCUCQ-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	2423622	UTLYKVFHMNUDQD-NXNYUAIASA-N	460.490	3.006	50	40	JGGB	
COc1ccccc1CCC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1	9441758	NVOBABAISYDIFK-UHFFFAOYSA-N	495.601	3.218	50	40	JGGB	
COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)c1	12275157	BGVNSOIBADWXNZ-OSPHWJPCSA-N	468.531	3.364	50	40	JGGB	
COC(=O)c1ccccc1NC(=O)NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1	16361090	PYNYQVUXWBHPDJ-UHFFFAOYSA-N	462.909	3.331	50	40	JGGB	
COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OC	58886600	IUDJUGQSWHWCEL-SVZNOHIVSA-N	468.291	3.272	50	40	JGGB	
Cc1cccc[n+]1[C@@H]1[C@H](c2ccc(Br)cc2)C(C#N)=C([C-](C#N)C#N)N[C@@]1(O)C1CC1	217336994	BUIVVPFEMFIUSN-GMKZXUHWSA-N	474.362	3.471	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccccc1O	408731608	NZNCBKZELKDHGT-KEBDBYFISA-N	475.328	3.343	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC	408859931	VTAIHJKPIMGSFI-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC	408971757	KTPASUOLIRFFFP-XIEYBQDHSA-N	473.595	3.425	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1	409007699	YZTYMZLKZULRAZ-CVKSISIWSA-N	469.538	3.484	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC	409027427	HVNZESQLAKCJAT-FSJBWODESA-N	486.377	3.483	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl	409156725	OYSZJYWXTGMFIP-BHGWPJFGSA-N	495.761	3.096	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409170116	UCUIHECPEOHNBY-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)cc1	409255041	GULMGWBOTHQDQI-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
CCOC(=O)c1c(N/N=C2/C(=O)NC(=S)N=C2O)sc(SC#N)c1-c1ccccc1	6016453	NKYMWHFWYXXUTM-UHFFFAOYSA-N	459.534	3.304	50	40	JGGB	
O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	8427393	ZYOJVIHMIGMGNQ-OEAKJJBVSA-N	455.540	3.407	50	40	JGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1	9292382	ASTVDCMKHNHZMX-FRJAKYGPSA-N	457.534	3.471	50	40	JGGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	20214104	KGQYBTZYLCPPMB-WSDLNYQXSA-N	482.400	3.400	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	28215022	DLECLSGEYZFKDF-XHEHIBSSSA-N	461.474	3.003	50	40	JGGB	
Cc1c(C(=O)NNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)oc2ccccc12	48345959	NJTWITVQLQDUSF-DEOSSOPVSA-N	496.523	3.016	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409153242	MERCDAKRBJBQTK-RPPGKUMJSA-N	488.972	3.348	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409163569	UGNIJTRQPHZFRE-BRJLIKDPSA-N	474.945	3.039	50	40	JGGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])cc(OC)c1OC	409219158	JSONSEYLRULDGW-FMCGGJTJSA-N	469.406	3.197	50	40	JGGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)NC(N)=O	409242341	QZQOSJNIPWITIG-QPEQYQDCSA-N	465.222	3.111	50	40	JGGB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccccc2C)C1=O	8819337	MTTWTWZLUWFGKE-AQTBWJFISA-N	455.561	3.056	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1OC	8819490	RUPZOWIOXAECCN-RGEXLXHISA-N	485.587	3.146	50	40	JGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2)cc1	9331060	DLDOCWUDMGEOFC-QGZVFWFLSA-N	453.520	3.423	50	40	JGGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O	9345478	AKLAQZNMDPVVIR-JLHYYAGUSA-N	459.289	3.463	50	40	JGGB	
Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cccc2c1=O	12856340	WBNJHCRZTYPFAQ-OAQYLSRUSA-N	456.454	3.369	50	40	JGGB	
CC[C@@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O	100771450	CFNIGCYRNHVPFF-WCVSIMCFSA-N	497.585	3.133	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1C	408774008	VDLLLCQCSKNJSM-MSXFZWOLSA-N	488.953	3.117	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408841238	DQLKGCCZYYTJEY-WSDLNYQXSA-N	478.377	3.427	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(F)cc1	409263634	NFYRIYOMWTVCJV-UVHMKAGCSA-N	482.443	3.080	50	40	JGGB	
O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1ccccc1[N+](=O)[O-]	805165	VYBZXRASRLTXIE-UHFFFAOYSA-N	468.061	3.206	50	40	JGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc2c1OCO2	2256222	BSJVAXQLWLPUEL-JOCHJYFZSA-N	457.486	3.355	50	40	JGGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1	8914128	HMZMFKXOZQIMOJ-DDMUGZQBSA-N	484.965	3.300	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)ccc1OCC(=O)N(C)C	9635130	RKGKSQYVFCCLMH-KKMKTNMSSA-N	491.470	3.071	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)n1	28215096	FSUNSQSGKGTYBC-VULFUBBASA-N	463.563	3.031	50	40	JGGB	
CCOC(=O)[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)[C@@H](O)c1ccccc1	100678253	NHWFXPAECJRGTH-YADHBBJMSA-N	467.393	3.295	50	40	JGGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	408765089	ZGYOORVEGNNDNJ-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1	409224342	KXTKGHWOTNWYHT-IVEZPLFTSA-N	450.363	3.479	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409253139	WBCNDXHRAQPHIV-KKMKTNMSSA-N	498.923	3.034	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	409269887	ARSKDTIXKUQCCF-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc12	9381920	QAIZSYBFONKVEO-AWEZNQCLSA-N	490.607	3.491	50	40	JGGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	9516630	OBQDUBVTTXKLGZ-NSHDSACASA-N	461.234	3.462	50	40	JGGB	
CC(C)C(=O)NNC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C(C)(C)C)CC4	12640845	OYEAOZUFGRMFMZ-GFCCVEGCSA-N	460.629	3.386	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC	16136857	MGNWIZWORSRTPX-WSDLNYQXSA-N	474.366	3.317	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2C(=O)O)cc1	59444258	XQIGQUPNKHHSNH-YZSQISJMSA-N	479.558	3.077	50	40	JGGB	
COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	59921345	QJAVQAPXNRODQQ-HYARGMPZSA-N	480.384	3.009	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1	408858332	OISDEEPKRJSGGY-WGOQTCKBSA-N	495.557	3.120	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1	408892146	GOLBRCSWZRQSAZ-HUSFYUSLSA-N	489.985	3.148	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)c1	409167034	GQSICHKMKRIXMH-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	409262915	JLWIKSCJUWZJFF-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)cc1	409263862	MZROXYPOMTZVIO-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409267697	XDRBGLSMXQUFBW-CCVNUDIWSA-N	492.532	3.079	50	40	JGGB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	12642152	DRGOLUMHXMNQJL-DMNIGZBVSA-N	482.493	3.256	50	40	JGGB	
O=C(NNc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	14895623	XFKSSNHAOWZUSH-SECBINFHSA-N	467.391	3.065	50	40	JGGB	
COc1c(Br)cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc1Br	30734429	ZSOFYJPMKRUGSK-MNLPJBSCSA-N	495.171	3.200	50	40	JGGB	
O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(I)cc1	408718257	GALBZDSRVOOAHZ-ODCIPOBUSA-N	476.101	3.365	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1	408781347	CGWXJKCVKIAZOO-HAVVHWLPSA-N	452.492	3.331	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408786346	HWBXOVQIDKTLSN-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2628209	QUHXCSUTHSLUSF-UHFFFAOYSA-N	478.490	3.048	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc(O)c1	8820459	JUMJCDZOLSVRQU-KGTQDBRDSA-N	453.545	3.001	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1O	28217689	JGYKMQLLFBYKIP-UFWORHAWSA-N	454.302	3.455	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)cc(I)c1OC	30708140	YLGVCZHOHJOGSW-FBHDLOMBSA-N	468.291	3.454	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	408779425	DUOVEWJTHWFKDW-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
Cc1ccc(-n2c(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1	1247154	FUNNXAIKAWZWOT-UHFFFAOYSA-N	469.526	3.259	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OS(=O)(=O)c1ccc(C)cc1	2077243	PSMJDXRGOWZDJE-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)s1	9480019	UFCBMVUJBNUIIW-ODCIPOBUSA-N	474.959	3.312	50	40	JGGB	
O=C(CC(=O)NC1CCCCC1)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58873109	ILUPWUJEFBVFBK-YSMPRRRNSA-N	454.502	3.132	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	409008088	SYRQYWXZIDUYAY-QFEZKATASA-N	478.461	3.393	50	40	JGGB	
Cc1c(C(=O)N/N=C\c2cccc(Br)c2)nn(-c2ccc(F)cc2)c(=O)c1C#N	409059842	OQCRBFZYYKZDLS-MYKKPKGFSA-N	454.259	3.078	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1OCC(=O)Nc1ccccc1	409237473	IWJOWZVDJAOZQC-DHRITJCHSA-N	479.562	3.362	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	12520145	ZNEUSAKGLJBLIV-LJQANCHMSA-N	487.589	3.323	50	40	JGGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1ccc(Br)cc1	24311719	VLYAKGCYBKVUJA-LLVKDONJSA-N	456.134	3.369	50	40	JGGB	
CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	107806550	MNZWKPKAPYGVMM-AWQFTUOYSA-N	484.250	3.179	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408612974	XZDDKUGXBOZEDF-CHOFVFFHSA-N	462.344	3.402	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccc(Cl)c(C(F)(F)F)c1	408767245	KOMPCJAKAINEFQ-NUGSKGIGSA-N	451.829	3.414	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)c(Cl)nc2c1	408912659	QSZDLKZQXRXVNV-JMKVTYIUSA-N	460.943	3.202	50	40	JGGB	
CCOc1c(I)cc(/C=N\NC(=O)c2ccccc2OC)cc1OC	408948718	DIAYSBOVQSSKQG-JAIQZWGSSA-N	454.264	3.471	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1	409254247	YMNQJYQABHXPNC-IETDBYTCSA-N	464.444	3.088	50	40	JGGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1	409271565	VBMCTUZNFXGQHU-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCC	409361338	RGWGPWBFFJCLGU-KKJJZKEWSA-N	468.291	3.272	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(I)o1	2121894	VPPWHFWDGYLTIL-XIJPWPHISA-N	491.285	3.071	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-]	8820466	FFPYHBSSFHFFJL-YKYHQJSKSA-N	482.543	3.204	50	40	JGGB	
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCSc2ccc(F)cc2)c1	12756552	FIACKXMUKDIQQL-UHFFFAOYSA-N	473.979	3.109	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)ccc1OCc1ccccc1	16186873	WTWHFFLDNXRWEP-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1	18198543	SXDHHAFREKRSJL-YBEGLDIGSA-N	466.500	3.084	50	40	JGGB	
O=P(/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1)(N1CCOCC1)N1CCOCC1	102960143	RBMHEKUGMXQFQZ-ZNTNEXAZSA-N	471.523	3.274	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	408878639	AFJFAIRSGWNKSS-IERINAHZSA-N	479.986	3.441	50	40	JGGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2ccc(F)cc2F)o1	408977932	ZRMINTIEMWSZGE-KALUYTGESA-N	463.404	3.357	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c1	409010685	DGNXXVOLNBDURB-ODDBZWQPSA-N	455.555	3.381	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1	409253950	HBNFJYMTPMAXJE-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C	409259285	YANHNVRVIUQPNN-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NNC(=O)c1ccc(F)cc1	2622538	SHBVSWJBWOXMIK-UHFFFAOYSA-N	451.483	3.279	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1	6072756	JGKMAHLKTUMWLZ-PCLIKHOPSA-N	456.955	3.119	50	40	JGGB	
O=C(NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1Cl	9591296	YPBPFFZRPADUHH-KDOFPFPSSA-N	481.307	3.396	50	40	JGGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2cccnc2)cc1	16734326	APLPGUGYSBISRF-QGOAFFKASA-N	453.458	3.114	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl	19951981	WBFXDLLDAKOXDW-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1OC	35494364	RLTKOTDJIDCGEB-YVNNLAQVSA-N	469.719	3.356	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	58881631	KUVMWKGQCVQQDY-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)Cc1ccccc1	108156560	FTHRWBMVJFLBJW-MYYYXRDXSA-N	496.545	3.253	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)cc1	408779971	OWDAWPWGCIGOQO-WSDLNYQXSA-N	476.352	3.224	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2)cc1	408786390	JFFZHSQYBJYUHA-BUVRLJJBSA-N	451.504	3.039	50	40	JGGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(O)c(I)c1	408904583	LUCCGZAPBBUXLH-LSCVHKIXSA-N	475.080	3.288	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)ccc1O	408923285	VOBLWLKMHILECC-UFFVCSGVSA-N	460.339	3.014	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408959907	ABZUVBOTPKAXAM-ZVBGSRNCSA-N	476.239	3.419	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1	409267795	XRQISKDZBJJBFU-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccccc1C(F)(F)F	409268430	TVFQFCOFBIKNGH-KVSWJAHQSA-N	488.422	3.082	50	40	JGGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1	2132659	IEXTVKOQKBRZKX-CMNXJCJSSA-N	456.550	3.428	50	40	JGGB	
CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	13758488	GQDRMPZRVSAQHR-HKWRFOASSA-N	492.557	3.030	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1	13806192	RIQUUFCBFARYHX-PMFHANACSA-N	456.907	3.379	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1C	58918239	ICUMRXQTAAVZOO-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
Cc1ccc(NC(=O)NNC(=O)c2ccccc2F)cc1NC(=O)NNC(=O)c1ccccc1F	102985813	GZNOOJHTORKOKI-UHFFFAOYSA-N	482.447	3.206	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(F)cc2)cc1OC	409113353	HWTMONLVYNNZII-UHFFFAOYSA-N	463.531	3.475	50	40	JGGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccc(OC)cc3)=C2C#N)cc1	409325875	CDEBXRLXZWIVLV-HXUWFJFHSA-N	451.548	3.482	50	40	JGGB	
O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)NNC(=O)c1ccccc1F	12806274	LKASMRPFUXBYNI-UHFFFAOYSA-N	454.508	3.140	50	40	JGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1	19948964	VKAYNUGHIZVQCW-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2	58918494	FVQGJXWQIDSTCX-MFKUBSTISA-N	485.949	3.457	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccccc1Br	58925154	RROHQVVTNRPOGA-VXLYETTFSA-N	489.189	3.128	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc2c1=O	69628043	KMUUGMGKYWYPIC-FQEVSTJZSA-N	493.583	3.399	50	40	JGGB	
COC(=O)CN1C(=O)/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	100282803	RMEOBOCNAUNERO-OKPNVDCHSA-N	453.498	3.033	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1	409262917	GGALKOXQJZUMQB-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc1	409265390	URJNTZGIMVXNID-WSDLNYQXSA-N	462.300	3.207	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC	409332406	FCMJBCQKIBXFFT-CPUXBYDOSA-N	457.527	3.264	50	40	JGGB	
CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)c1C	2317586	ANHKXQMTBUDCSS-UFFVCSGVSA-N	476.404	3.320	50	40	JGGB	
CC(=O)O[C@H](CC1CC(=O)N(CN(CCCl)CCCl)C(=O)C1)[C@@H]1C[C@@H](C)C[C@@H](C)C1=O	4758085	WWVPKXABFDVWMX-QGWWYQLQSA-N	477.429	3.062	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	8819635	HDUGPACFVXHZDS-UNOMPAQXSA-N	483.571	3.166	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccncc1	13686349	NRDXBXOKEQYQOY-VBKFSLOCSA-N	460.968	3.178	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OC(=O)N(C)C	16163063	IPZAUNVFLHZCQU-JFLMPSFJSA-N	472.501	3.374	50	40	JGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1[N+](=O)[O-]	28215717	XPPKGAVEMZICOB-JVWAILMASA-N	460.490	3.405	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	59920847	RCECZMTUOQJBTN-HYARGMPZSA-N	464.385	3.309	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1	408744997	OQFKENLZTFNNKS-GRFAERAESA-N	462.531	3.155	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O	408771271	FCXJYSLUVDYCGS-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409110456	WFBCVFMWBUKIPV-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1Cl	409150641	DACGMPKHPQDVNI-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1/C(=O)Nc2ccccc21	716779	VPNITEDKBHXCKK-UHFFFAOYSA-N	483.116	3.072	50	40	JGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	12419257	UYOSBEWBALSLSQ-FBCYGCLPSA-N	458.652	3.254	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1O	19948776	TZVVNMCINVRIII-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1	19950496	ZLMLMIOCRMNPLY-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1cccc(Br)c1	20060491	REFVLZBPWPEOCJ-VXLYETTFSA-N	489.189	3.128	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1-c1cccc(Br)c1	38176881	DHPROMDQVFTUSK-AWQFTUOYSA-N	491.327	3.101	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl	59246720	DCVWEVKDFWEUGM-MSXFZWOLSA-N	452.338	3.363	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)Cc2ccccc2)cc1	59435445	WYYHMNUPHJBOFA-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408777622	DMZYJNRHAVKIIS-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)c1	408777731	HHUBFNWSKRGCFY-AFUMVMLFSA-N	481.530	3.078	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1	409024566	DVJJKYNFZJFDKM-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	409224732	LKWUEYOHNLMHAN-UUYOSTAYSA-N	479.361	3.394	50	40	JGGB	
COc1ccccc1-n1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccccc1O	915873	QREIJGNCQARUQX-UHFFFAOYSA-N	489.557	3.131	50	40	JGGB	
CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	3144136	GOLHDOACARIKPG-JOCHJYFZSA-N	458.518	3.155	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C3\CCCc4ccccc43)nnn2-c2nonc2N)cc1	9307156	JKWQLVHMQGUMMB-XIEYBQDHSA-N	474.550	3.304	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(C)cc1	15019887	NTPSVVNFBZLMGV-ZMOGYAJESA-N	476.371	3.127	50	40	JGGB	
O=C(CCSc1ccc(Cl)cc1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1	22788483	KQAGQDMVSIYYNJ-UHFFFAOYSA-N	461.031	3.178	50	40	JGGB	
CCOc1cc(C(=O)NNC(=O)c2cccc(-n3ccc(C)n3)c2)cc(OCC)c1OCC	48325147	BNUWZRORXCYBDX-UHFFFAOYSA-N	452.511	3.452	50	40	JGGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408936652	IDARAESTUVTWHM-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409251026	SPKAVYAOUGPPIF-MLPAPPSSSA-N	475.255	3.047	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409264631	QLKQAXFWXJFKGN-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1Br	1086933	JGBLWVIOMJEPKF-SSDVNMTOSA-N	488.298	3.383	50	40	JGGB	
COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1OC	2366122	OTVBKFDGRXUCRK-GFMRDNFCSA-N	487.354	3.000	50	40	JGGB	
C/C(=N\NC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)OCO2	20159471	MTHMHUYDVHLNOM-NISMRDLLSA-N	455.492	3.236	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NC1CC1	408612020	TYIQZCMCVJAGCM-LSHDLFTRSA-N	450.720	3.410	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1	408908716	YDZUZDYOPJQWHY-DNTJNYDQSA-N	479.729	3.471	50	40	JGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cc(Br)cc(Br)c1O	409362793	KEOFNHOELOBMIN-AWQFTUOYSA-N	470.117	3.381	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16215940	URRWFCBAGBICPI-XIEYBQDHSA-N	451.548	3.079	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c1	58853863	UIQJBQTWYRZXNL-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1OC	3068169	SQZYDZDOXFDIKB-UFFVCSGVSA-N	468.291	3.454	50	40	JGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)COc1ccc(C)cc1Br	12629348	CVTYTASRBVXYLA-ZVHZXABRSA-N	476.327	3.428	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cc2c(s1)CCCCCC2	21967294	XJXHUGWBIKOMHT-MRXNPFEDSA-N	481.665	3.331	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1OCc1c(F)cccc1Cl	408611625	RFJXPQZXLOWOIV-PGGKNCGUSA-N	486.725	3.415	50	40	JGGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	408612885	ZESCWTHWNOGGHB-UVHMKAGCSA-N	465.893	3.414	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408766907	WSRDSRCUGHSMAZ-FYJGNVAPSA-N	459.436	3.118	50	40	JGGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc2ccccc12	408786064	KTFWPKZZZGUHPD-MYYYXRDXSA-N	476.514	3.000	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408848455	VBPNAGAEZAZFRZ-BTZNOAQDSA-N	486.775	3.112	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408881604	NWAMXGCGKDHFKO-AFUMVMLFSA-N	472.954	3.398	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OCC	408906848	JCBZEQAPRUISKZ-BUVRLJJBSA-N	461.584	3.407	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2	2254249	JFRJIIOJMOYMFJ-JOCHJYFZSA-N	482.581	3.133	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(F)cc2)cc1	16309425	KZINVOBUUGERHA-JVWAILMASA-N	480.521	3.382	50	40	JGGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2c(cc1Br)OCO2	16401843	IZLAGEDXGNCBIG-FBCYGCLPSA-N	452.286	3.470	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1	19949751	JRCOTGJCANBKCS-HAVVHWLPSA-N	452.492	3.331	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1	20059673	VCSDVKAQKGUQFA-ZVHZXABRSA-N	467.503	3.124	50	40	JGGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1	31871055	NNLNRMZNDWCXPU-MXAYSNPKSA-N	460.515	3.348	50	40	JGGB	
COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408792146	ISCYOINSLLTALN-NTUHNPAUSA-N	461.268	3.261	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2F)cc1	409004282	BSEZQWXLKNNGBR-AFUMVMLFSA-N	484.509	3.384	50	40	JGGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	409011143	DVCSOSYIDFCJPY-RIDKEVFESA-N	462.890	3.014	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc(Cl)cc3)o2)c1	409172975	GWOSZRBYMYMJTB-UVHMKAGCSA-N	483.908	3.422	50	40	JGGB	
COc1cc(NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1Cl	3765110	YKVHBVHBOGXIJK-UHFFFAOYSA-N	455.920	3.014	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCC(=O)O	9311618	MQCKEJATPJQHAH-VULFUBBASA-N	468.893	3.198	50	40	JGGB	
O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(Br)s1	22021474	UFVFONQYNQYLNI-UHFFFAOYSA-N	469.338	3.152	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	27499163	WRYFZFFPCQWUFA-VDWFRPMFSA-N	456.502	3.403	50	40	JGGB	
CCCN(CCC)CN1C(=O)/C(=N/NC(=O)CO/N=C(\C)c2cccs2)c2ccccc21	100180267	RZVXDJLTMFWOGM-BADXLTGQSA-N	455.584	3.435	50	40	JGGB	
COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1	1010987	BYICKMRBYZVZRJ-ODCIPOBUSA-N	455.696	3.131	50	40	JGGB	
Cc1ccccc1OCC(=O)NNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1	10370577	UNNTWSWWYGVMML-UHFFFAOYSA-N	453.568	3.059	50	40	JGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1	12552894	CQGVYAHWTKKPBI-DEOSSOPVSA-N	458.562	3.335	50	40	JGGB	
COc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(OC(C)C)cc2)ccc1OCCC(C)C	14235976	JKTAXIDZKGPMRY-UHFFFAOYSA-N	471.554	3.098	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1	19953245	FXTPTFFQVLGXQN-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c2ccccc21	33617759	SXQBSQZGOYNXPX-QPJQQBGISA-N	494.143	3.121	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	408921413	HEMAEJOQTWPULG-RGVLZGJSSA-N	459.311	3.208	50	40	JGGB	
COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1I	409023803	QMQXLBGFIBUZFN-JJFYIABZSA-N	461.259	3.377	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(OC)cc1	639101	KYQWTZNZVCGKGG-NHCUHLMSSA-N	465.531	3.113	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)c1	3237556	MHVOICMHMGRKPH-PCLIKHOPSA-N	499.545	3.302	50	40	JGGB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	9715924	BMIVSBVOROWEET-OAHLLOKOSA-N	453.495	3.040	50	40	JGGB	
O=C(Cc1csc(-c2ccc(F)cc2)n1)NNS(=O)(=O)c1cccc(Br)c1	12923208	HUXPIKWTRQMIFB-UHFFFAOYSA-N	470.345	3.264	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O	20212254	NUYWWUMWFSSTOM-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
COc1ccccc1C(=O)N(NC(=O)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O	100126561	CVHIMGSSXYGINM-HXUWFJFHSA-N	477.904	3.468	50	40	JGGB	
O=C(NNC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccco1	102188570	MKWHZFPIZWRBDA-OVKOADNCSA-N	496.945	3.203	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2)cc1	408772307	NXCGCNZTKYOEAW-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408863269	QUYATNHRNCIYOZ-WWJLXRQJSA-N	477.970	3.217	50	40	JGGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965060	GCQSODHJMCXJTN-WGOQTCKBSA-N	461.547	3.296	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(=O)c1C#N	409092348	UVARSQLERRBHMY-AMVVHIIESA-N	488.588	3.499	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc(OC)cc1	409267842	PGHARGUCNPWKFF-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OC	409316820	MLZKZVJPITXRBR-KSEXSDGBSA-N	493.310	3.258	50	40	JGGB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(=O)[C@@H](Cl)[C@@H]3c3ccc(OC)cc3)cc21	1084154	PPDZCJUEYODALN-OALUTQOASA-N	459.861	3.385	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c(OC)c1	10002322	LEEVCUHJXMULTN-SIBVSACJSA-N	468.554	3.175	50	40	JGGB	
C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	17157291	HORZTWODXRDQFC-ABROSTTOSA-N	474.410	3.024	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1O	408729371	ZELLPAXUTGNQGI-RGVLZGJSSA-N	454.264	3.097	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCC(=O)OC	408817083	XCOBQRBJLZPDDH-NDENLUEZSA-N	450.491	3.207	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)N1CCOCC1	409018004	GZKNYGTYYOOCNG-WPWMEQJKSA-N	461.518	3.240	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br	409231575	JYXQWEAVSBXJGI-AFPJDJCSSA-N	457.683	3.486	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(N)=O	409270085	BZJHSIHYRDSHQQ-AFPJDJCSSA-N	499.159	3.238	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(=O)O	409334032	QPZXGPDNEUZMKO-YVNNLAQVSA-N	481.299	3.092	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c(C)o1	3341590	GWWCIBJLAXZNTM-UHFFFAOYSA-N	479.917	3.242	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccccc2)cc1	20215141	KIBMGUFXZCBIHV-NLRVBDNBSA-N	495.557	3.202	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(F)cc2)cc1	20232059	BIXPYNUUFIOOFW-CVKSISIWSA-N	483.521	3.251	50	40	JGGB	
CCOc1cc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C	32654866	HWJNZRXBUYRDDT-GUBFPNNNSA-N	486.590	3.290	50	40	JGGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c1	58880822	DJTDXSUBDXEMEZ-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1C	58880881	HDIUVKTXYRCEJR-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
N#CC1=C(SC[C@@H](I)CI)N2CCC[C@@H]2N=C1	106534942	OBZXHUYALZOGJW-VHSXEESVSA-N	473.121	3.200	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)c2ccc(C)cc2)cc1	408925214	NPUKFVPUEOAWSR-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc(Br)c1)OCc1ccccc1	408985192	AEDIZUAPVCKZNJ-SXPOYZCRSA-N	470.327	3.160	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409134596	SINFTMHYPAMDEG-RBUKOAKNSA-N	455.923	3.450	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OCC)c1	409150604	CXRSGEXBBRJGIZ-JFLMPSFJSA-N	468.554	3.086	50	40	JGGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	1790799	TYSIZAPMAJSBEG-JQSQVVPISA-N	473.308	3.269	50	40	JGGB	
O=C(NNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1	9715456	FHXNNCUFYUONON-UHFFFAOYSA-N	474.882	3.124	50	40	JGGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1	13658569	HMZMFKXOZQIMOJ-DFUWJZLLSA-N	484.965	3.300	50	40	JGGB	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)c1	16718800	RHENFLFMEGOMTK-ATVHPVEESA-N	475.979	3.401	50	40	JGGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1	19926325	YYXXRDMGXDYQEH-ZVHZXABRSA-N	471.922	3.384	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(C)cc2)cc1	20059753	VNRCUJSJPPCYEK-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1	28869246	ZKCDQULKNFPGGO-UHFFFAOYSA-N	452.323	3.097	50	40	JGGB	
O=C(NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F)c1cc2c(s1)CCCCC2	32815174	WMKXOXYOROPGRF-UHFFFAOYSA-N	491.360	3.240	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC	408755492	VDVSDSGNWHUYGV-VXLYETTFSA-N	469.235	3.371	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)c1	408784452	CAJHDVTUHHZYIS-NLRVBDNBSA-N	497.573	3.454	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)ccc1C	409159290	VTKCRHNZNTUEBP-BRJLIKDPSA-N	489.370	3.060	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)cc1	409168944	OANIPPFVOJARSL-RDRPBHBLSA-N	472.545	3.076	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1	977683	XTOJQIYXVKNALN-YDZHTSKRSA-N	470.279	3.449	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	13811205	WPWLPVMDKRQMLK-PMFHANACSA-N	456.907	3.379	50	40	JGGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CCCn3c(=O)oc4ccccc43)cc2)cc1	15895346	PXHYNGDNYVDNSP-UHFFFAOYSA-N	470.485	3.140	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]3[C@H]5[C@@H](I)[C@@H]4[C@H]23)c([N+](=O)[O-])c1	245283738	ONQRMRLNRDSIAF-IBNKZNAWSA-N	466.235	3.462	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Cl	408669124	WWJMZWDWWFMAKD-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OCC)c1	409160297	TXEUGPXIKWDRNI-MZJWZYIUSA-N	488.972	3.431	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(I)c1O	3140075	RULMIPPXHBUPJD-DNTJNYDQSA-N	474.682	3.496	50	40	JGGB	
O=C(N/N=C/c1cccc(O)c1O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	3224828	DDYGZFRNBHEPKA-WSDLNYQXSA-N	490.335	3.425	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC	9311004	ANZAHFGCUZXAKA-MTDXEUNCSA-N	476.529	3.413	50	40	JGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1	13120109	UKXIQNKPLCNAFV-YWNAFCPWSA-N	478.574	3.263	50	40	JGGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3I)[C@@H]2C1	14922859	FZBGJGMOOJXOQH-MJGOQNOKSA-N	469.330	3.427	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816788	WORPRSDBOWCCQD-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
O=C(O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	408747147	JOHWZFJVTOOZKT-QFEZKATASA-N	483.318	3.299	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C	408761761	BHZBHERAKPAHKZ-VVJWVBNBSA-N	482.400	3.219	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1C	408907810	SMIGUKPOARRQDS-WGOQTCKBSA-N	479.558	3.439	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1	408923418	XMNXAVPARISJKM-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1	409165169	UEFCHQSTJBZNKC-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)c1C	409172489	JIAJVGNGDGBHOK-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccccc1C(F)(F)F	409249200	IUNWVDGPKNGVFT-KVSWJAHQSA-N	488.422	3.082	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccccc1	409260046	JUSRXCUBKVJWPE-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1C	409270640	GOFCGDVDHSSFAU-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cccs1	9307950	KQZNFYZNSVWVLZ-CIAFOILYSA-N	454.541	3.049	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)c(C)c1	9329229	YZSBSOMGQUUQIP-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
O=C(N/N=C\c1cc(Br)ccc1O)N/N=C/c1cc(Br)ccc1O	35935829	UXBYQJIQRYVDEN-CLLFQMGYSA-N	456.094	3.290	50	40	JGGB	
COc1cccc(-c2csc(N3CCN(CC(=O)NNC(=O)c4ccc(Cl)cc4)CC3)n2)c1	36351084	LJOJJLGLGFUUDQ-UHFFFAOYSA-N	485.997	3.055	50	40	JGGB	aggregator
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1	58880887	SJEBQWMLZULNTI-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	58918571	XNVNJPCSDUZSKG-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
O=C(CN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2ccccc21)Nc1ccc(Br)cc1	100511482	YIMZUTLUDPRFPF-YYADALCUSA-N	493.317	3.274	50	40	JGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1nonc1-c1noc(-c2ccccc2)n1	101144756	ILLHAESZFKVBCJ-UYRXBGFRSA-N	479.456	3.491	50	40	JGGB	
COc1cc(C(=O)NNC(=O)C23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cc(OC)c1OC	103024464	XPBKNKYWSOTBKP-VRTLLEBXSA-N	467.360	3.207	50	40	JGGB	
Cc1ccc(C)c(N2C(=O)C(=O)[C@@H](c3nc4ccccc4o3)/C(=N/NC(=O)c3ccccc3O)C2=O)c1	104278174	QMLXIABJHHORSX-DEYIMBDLSA-N	496.479	3.162	50	40	JGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1	408606149	OVFSKGOOFSULTR-GOSISDBHSA-N	450.476	3.291	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1	408995444	CUPSDIBXQYOGNR-ZMOGYAJESA-N	463.519	3.494	50	40	JGGB	
O=C(CCC(=O)Nc1cccc(C(=O)O)c1)N/N=C/c1coc2ccc(Br)cc2c1=O	1951372	LYEFJHYPBZKQGJ-AUEPDCJTSA-N	486.278	3.123	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(O)c2O)S(=O)(=O)c2ccccc2)cc1C	3112679	UJAUZGWGRRWWFN-ZVHZXABRSA-N	453.520	3.060	50	40	JGGB	
Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	8437432	NKKXXQBVTCDMGE-FMCGGJTJSA-N	471.926	3.132	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(O)cc1	8911488	GXZJCEMBGWSVIK-SFQUDFHCSA-N	475.979	3.488	50	40	JGGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	9217533	YXMSAYNMAZJTET-NRFANRHFSA-N	466.925	3.333	50	40	JGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)NNC(=O)c1cccs1	9284330	BZCIWJGUUBBOID-CMDGGOBGSA-N	462.890	3.052	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	19953217	BLNYUDCPDBVKIJ-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccccn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100768903	MAFPMZXFWPXWJT-SAIMLQKYSA-N	474.554	3.229	50	40	JGGB	biogenic
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2O)Cc2ccccc2)cc1C	107640255	MSHMXKLXIUHTPH-MYYYXRDXSA-N	467.547	3.050	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccccc2)cc1	408861848	UZPRIHIGBJDDBS-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(C)cc1C	409268591	WHOFPZGUWHJEEG-NEOOYVHHSA-N	468.554	3.084	50	40	JGGB	
CN1/C(=C(/C#N)C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)Nc2ccccc21	12563778	DJESZQNMRXBRRU-QQTULTPQSA-N	477.480	3.409	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1O	20499709	HVTTZWVTBPGXLC-AFUMVMLFSA-N	471.510	3.194	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)ccc1Cl	100394206	AIFPQPZOOAEVOZ-HGPWQKRLSA-N	477.536	3.321	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc(Br)c2)cc(OC)c1OCC(=O)O	408817826	METJTJQNOWWLAV-KSEXSDGBSA-N	477.311	3.179	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccc(C)cc1	408922549	CCAOKROIFQQRTL-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OCC)c1	409159445	ZXGFLBDNLJPAAR-UVHMKAGCSA-N	486.956	3.125	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409239057	FZXNLKPUDXQSMH-NSIKDUERSA-N	489.282	3.437	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C(\CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	8384195	GLNHMELLESMZIN-CLXZYQIKSA-N	477.583	3.188	50	40	JGGB	
CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	12526752	GRNYNERCMQWFCW-HSZRJFAPSA-N	494.617	3.172	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cccc(Br)c1	20209741	VKRLWJXHMPLIMU-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	20211511	LPHWBBUDCUIYRI-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
CCC(=O)Nc1cccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1	59364262	XOOMSCOHRORQLZ-UHFFFAOYSA-N	454.490	3.358	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408778396	TXXIBEAMBUKIBN-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc3c(c2)OCO3)cc1	409223827	IRJBAHIBTPCHKI-MSXFZWOLSA-N	463.402	3.315	50	40	JGGB	
CCOC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9160083	YXSNOYYLDAIWFB-VWLOTQADSA-N	489.919	3.088	50	40	JGGB	
COc1cc(Br)c(CCNC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1OC	10217007	MZFNHBPJXNAQBP-UHFFFAOYSA-N	486.750	3.315	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccn1	16479501	FVJDBRATNQGLMH-ZVHZXABRSA-N	487.379	3.185	50	40	JGGB	
COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1	408686609	SDPPZUVAOJUAGU-MSPXFKQSSA-N	485.334	3.457	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1cccs1	408841604	LYNUDOJTLOMVAZ-RCCKNPSSSA-N	458.521	3.392	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccc1Cl	408907151	LNMFOKYRKYQGEW-LSFURLLWSA-N	478.836	3.183	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(N)=O	409222539	DSJRPIYMDMYWCA-VGOFMYFVSA-N	491.285	3.018	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	2278551	UKSSDYSBWFGEAJ-JVCXMKTPSA-N	454.530	3.212	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1	9885441	LBASQKRVLOZIAJ-UHFFFAOYSA-N	471.970	3.419	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1	20214306	VPLISGPAVSGLNB-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
O=C(CSc1nnc2c3c(-c4ccc(F)cc4)csc3ncn12)NNC(=O)c1ccco1	35289019	LJSFEOQUOCKHDF-UHFFFAOYSA-N	468.495	3.291	50	40	JGGB	
COc1ccccc1-c1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)no1	40087396	ANXDHBBTVYDQIN-UHFFFAOYSA-N	498.542	3.287	50	40	JGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1	408837295	BRWXRXFZTLMGQI-LGMDPLHJSA-N	458.474	3.397	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	408970774	DVWUHAVQJDXVHP-OEAKJJBVSA-N	494.411	3.317	50	40	JGGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1	409021253	ZOTCCBCNLNIWIL-VEILYXNESA-N	473.529	3.120	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1	1529545123	WZQLIEZDWFLMEQ-AOMNIJRMSA-N	478.574	3.237	50	40	JGGB	
CCOc1cc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C	9345328	HWJNZRXBUYRDDT-SCWSXOCZSA-N	486.590	3.290	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19949779	HAJTXAUBPXZUQP-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1	34910509	SJKYALOFUXDMSQ-MSXFZWOLSA-N	454.435	3.103	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccc(F)cc1	58880960	RISWFBLJURJZQO-LGJNPRDNSA-N	452.417	3.071	50	40	JGGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@]3(C=C[C@@]4([C@H]5C(=O)OC(=O)[C@@H]53)[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H]3O[C@]342)C1	118936224	IGFBSNDEYYBSQG-IIKGKGAOSA-N	468.546	3.143	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1C	408611980	SXEKVJPOGBBYPY-RPPGKUMJSA-N	458.946	3.197	50	40	JGGB	
O=C(N/N=C/c1cccc(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408868187	MTVGWTOZOOFCML-RHLNUJDMSA-N	470.776	3.406	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1	408921392	HBBPSNLUFMVLCE-WORIPGKHSA-N	461.584	3.425	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1	409002494	NUTDOQIOLJOXHF-VZMFNRANSA-N	456.480	3.056	50	40	JGGB	
O=C(CCNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21	2675864	KSHTYYSMFDDOMO-UHFFFAOYSA-N	484.137	3.348	50	40	JGGB	
O=C(CCCCCCCC(=O)NNC(=O)CCc1ccccc1)NNC(=O)CCc1ccccc1	8398218	MYJIKTCHJIDJTL-UHFFFAOYSA-N	480.609	3.278	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccc(F)cc2)C1=O)=C\c1ccccc1	8820661	FCSHDPJJOSWPCL-UJUKKVGJSA-N	455.536	3.434	50	40	JGGB	
Cc1cc(-c2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4C#N)n3)o2)c([N+](=O)[O-])cc1C	8842975	LWYWATGDNDFHMR-BRJLIKDPSA-N	470.449	3.147	50	40	JGGB	
COc1cc(C(=O)OCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)c([N+](=O)[O-])cc1OC	14075047	LMYQMDIPSUCUJL-DEDYPNTBSA-N	455.448	3.315	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1	20059306	DRNNROUFMYQDIJ-BUVRLJJBSA-N	451.504	3.115	50	40	JGGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	28214582	NPKGFWRMRZABQA-RSQFAKOWSA-N	455.580	3.133	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)ccc1O	39986465	ZDDHTVXLPYXBTA-JLPGSUDCSA-N	459.568	3.265	50	40	JGGB	
CC(C)C[C@@H](C(=O)OC(C)C)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	101904460	AUHOSLFGHNGOHL-XFWXNGHDSA-N	479.209	3.131	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408611430	WFWHXYLHNAIILV-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408611940	SNWXMXRXCJVRTJ-XMQIJXBMSA-N	450.322	3.318	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408613022	YIUSSAWMQVLUFY-XMQIJXBMSA-N	450.322	3.318	50	40	JGGB	
COC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408638301	QXWWLKHNFBECNJ-VQIMIIECSA-N	461.873	3.389	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(C)cc1	408864690	ZEFZIWXKASQRKW-MFKUBSTISA-N	452.536	3.053	50	40	JGGB	
COc1cc(Cl)c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC	408992208	SJSASHMUVMMQRQ-IZWKTHEGSA-N	485.928	3.068	50	40	JGGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408992937	VDQFCMVGACXJSW-OVCQRUIESA-N	463.538	3.432	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC	409022583	BOSXGBSWEXVVNZ-WGARJPEWSA-N	451.479	3.105	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1	409028753	RLKDLSWOZCCKAO-KGENOOAVSA-N	452.374	3.318	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1	409268906	ZJQIAEMCZRECDN-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	1079005	JIFKXIRHSHPQKK-UFFVCSGVSA-N	451.342	3.384	50	40	JGGB	
N#CC(C(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)=C1Nc2ccccc2N1	3316707	WMAVAQBHEWBAEA-UHFFFAOYSA-N	488.525	3.164	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCC(=O)OC	8812910	NOGBEVURSQJION-SSDVNMTOSA-N	465.300	3.172	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(I)c1O	9355239	WMDQEZSYTKAQHC-AWQFTUOYSA-N	499.261	3.141	50	40	JGGB	
C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)C1CCN(C(=O)C(C)(C)C)CC1	9778518	QDIYCNZAVBURAO-GOSISDBHSA-N	479.577	3.117	50	40	JGGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl	36006871	WHSLNJCOKGNBDN-LFVJCYFKSA-N	483.421	3.149	50	40	JGGB	
CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)CC1	408678196	CTAQDQOCZUFLMV-VWQYPGANSA-N	461.356	3.068	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1OCC(=O)O	408808860	GHPDZMNFTMWMFL-OHNYQXTQSA-N	498.317	3.365	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409115673	KJELBDMUNMOBHA-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1	409318125	TUQAFEAZWZRRFE-WOJBJXKFSA-N	466.515	3.023	50	40	JGGB	
Cn1ncc(Br)c1C(=O)Oc1cccc(/C=N/NC(=O)CSc2ccccn2)c1	695785	JEKJGFNNQZCDCT-LSHDLFTRSA-N	474.340	3.039	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1	20764898	JAMPJWLPEAGUMY-SSDVNMTOSA-N	465.300	3.474	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@H]4[C@H]5[C@@H](I)[C@@H]6[C@@H]4C[C@@H]3[C@@H]6[C@H]25)c([N+](=O)[O-])c1	102946461	ONQRMRLNRDSIAF-RYWZPUQTSA-N	466.235	3.462	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cccc(Br)c2)cc1	408859893	VAQPHJIPPLBGPF-ZVHZXABRSA-N	487.379	3.498	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1cc(C(F)(F)F)ccc1Cl	408906469	BSCSQHFDFAQBCI-YSURURNPSA-N	491.875	3.046	50	40	JGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccccc1	408999206	PWTFLFHSTNNJRP-UXHMZNKVSA-N	492.326	3.240	50	40	JGGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)[C@H](C(=O)OC)C(=O)N2)cc1	409134962	QIDTVHJDZLYMPH-RTWAWAEBSA-N	465.531	3.195	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3cccc(C)c3)o2)c1	409159640	OIINRDMHBJPARI-MZJWZYIUSA-N	463.490	3.077	50	40	JGGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccc(OC)cc3)=C2C#N)cc1	409325874	CDEBXRLXZWIVLV-FQEVSTJZSA-N	451.548	3.482	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1	3362805	HFFZQBDFBBKOQY-UHFFFAOYSA-N	496.545	3.107	50	40	JGGB	
Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2cc(Br)cc(Br)c2O)cc1	5733327	UJYUMVVFXITEMN-QWHCGFSZSA-N	489.551	3.335	50	40	JGGB	
CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(COc2ccccc2)cc1	10109352	AWTXUUBIDZEAHN-HSZRJFAPSA-N	499.564	3.169	50	40	JGGB	
COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21	13124019	SRPFMRSEWKBEHO-RELWKKBWSA-N	485.588	3.050	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	13988057	ATHUAVVWTCOFGY-RNIAWFEPSA-N	460.406	3.031	50	40	JGGB	
O=C(NNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1cccnc1	15507624	AYFVKLYSSFLGQC-UHFFFAOYSA-N	465.318	3.264	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OCC	20208060	FFEVVMBTQLGCPY-BUVRLJJBSA-N	461.584	3.407	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	20212980	IRFHEBQKFLFLCN-UFFVCSGVSA-N	488.791	3.336	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20213031	LUNZUSXIHZRMSY-PTGBLXJZSA-N	467.975	3.362	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1	39986729	JQRYQGUWOKOCKE-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59472797	ZTORGLKCBJMXCX-WPWMEQJKSA-N	492.557	3.252	50	40	JGGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3c[nH]c4c(C(=O)O)cccc34)cc12	85967878	VBCGLGMWTJMQJA-PPDIBHTLSA-N	476.489	3.372	50	40	JGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	408784062	SDJHUIRKKSNKGP-RPPGKUMJSA-N	489.315	3.370	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(O)c1	408850232	IWWUAFMSFQWTEP-UDIPQKBFSA-N	479.002	3.195	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)OCCO2	408923473	YCQJMUHFVWZHEV-WSDLNYQXSA-N	472.350	3.071	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1O	409065538	SZVMHTPBHLMCSP-CVKSISIWSA-N	481.574	3.359	50	40	JGGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1	409112877	GURGJTMJYMHFER-WGOQTCKBSA-N	495.557	3.136	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OC	409366965	YLTCKZZOKFYFSA-LSHDLFTRSA-N	471.270	3.400	50	40	JGGB	
CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2)C1	8691684	QISWOSDHURNRNC-DUYBAWCLSA-N	451.527	3.444	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1	16215217	VAVDZKFQOUQSEK-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
COC(=O)CN1C(=O)/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	100282800	RMEOBOCNAUNERO-QTEAAIINSA-N	453.498	3.033	50	40	JGGB	
Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1	408666117	NZRLAUSCZHLFRN-UHFFFAOYSA-N	490.354	3.179	50	40	JGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)o1	409165451	YJUGPVLCPYLBNU-VXHUXDJESA-N	464.434	3.161	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Cl)cc1Cl	409253702	BVTMOVRSIPMTLM-KBKYJPHKSA-N	489.315	3.370	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1O	409255251	LCDYAWHDLWDTOQ-WYMPLXKRSA-N	462.344	3.443	50	40	JGGB	
COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1	12420669	OPPQJEGHZITYTF-UHFFFAOYSA-N	479.587	3.487	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)CCCn2c(=O)oc3ccccc32)c(C)n1-c1ccc(F)cc1	12606815	WISBBTDKSOYJQD-UHFFFAOYSA-N	450.470	3.383	50	40	JGGB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)CC1	13811101	RJAABCXWSHYDRB-CJLVFECKSA-N	499.571	3.006	50	40	JGGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	19950955	IXPZVVRXFGLIMM-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1	19956926	TUPOMEZITJWLQT-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
Cc1csc(C2=C(N)NC(SCC(=O)NC(=O)NC(C)C)=C(C#N)C23CCCCC3)n1	21722015	ZPTRTFCZZRBEJX-UHFFFAOYSA-N	460.629	3.335	50	40	JGGB	
O=C1/C(=C\c2ccc(N(CCCl)CCCl)cc2)SC(=S)N1CN1CCOCC1	68562354	CVQVDWRDRYFJMI-GHRIWEEISA-N	460.452	3.462	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl	408610518	NOKSNQNIKZRWGT-HOPNPLPASA-N	480.348	3.326	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408748403	CZXIYSIGNUVTOU-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	408755991	QFWULAPKSJAKLM-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cc(Br)c(O)c(Br)c1	409008708	AYSNRVDSJDLTGO-DJKKODMXSA-N	473.121	3.111	50	40	JGGB	
COc1cc2c(cc1/C=N\NC(=O)c1cc(Br)c(O)c(Br)c1)OCO2	409068802	WAUCMJJXEXOWQC-SWNXQHNESA-N	472.089	3.418	50	40	JGGB	
COc1cc(C(=O)N/N=C\c2ccc(N3CCOCC3)c(F)c2)ccc1I	409127429	PWFOLMXRQXPAKS-UUYOSTAYSA-N	483.281	3.039	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1	409161438	XFXNOOFEURKUME-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(I)c1O	409167301	ICPWSPDJVORTIK-UFFVCSGVSA-N	481.290	3.101	50	40	JGGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)c1	4168161	UVLRPKITLJXCIA-LJQANCHMSA-N	464.478	3.338	50	40	JGGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2OC)cc1OC	13068722	SKVHOWXNCOVPAO-WAGPWIPHSA-N	466.490	3.134	50	40	JGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)c1	20208404	YSMRHKZAPOVTND-WSDLNYQXSA-N	481.416	3.048	50	40	JGGB	
COCCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1	22574463	WHPGFWSCLOQYFP-UHFFFAOYSA-N	464.595	3.321	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)c2ccccc2)cc1	408907160	LRVVHNBOBMKXKT-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1	408907485	PCPLHRGXKRMTDX-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccc(C)cc1	408923078	FEOJYHINNHZWPN-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(I)c(O)c2)cc1	408932737	YWVVBPPTZANAHX-SRZZPIQSSA-N	475.242	3.250	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccc(F)cc2)cc1	409058178	IVSQFCLESNRNTB-VULFUBBASA-N	483.521	3.174	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c1	409164736	MZWALFIYQCEPRL-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c1	409172312	CCOVAKQKMIGHBK-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1	8714027	RHEHCYPWAQIQQD-AQTBWJFISA-N	484.559	3.346	50	40	JGGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNS(=O)(=O)c1ccccc1	8819730	QTZKVFRSQHSNNT-MNDPQUGUSA-N	489.644	3.458	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OCC(C)C	8883613	ZVTIBWIDNINODG-BUVRLJJBSA-N	459.568	3.278	50	40	JGGB	
O=C(NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1	8927218	FBYBBECDXLNHKS-WMZOPIPTSA-N	463.317	3.257	50	40	JGGB	
O=C(NN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2	9090225	VSQGNXXGMOXEMP-MEFBABHGSA-N	474.667	3.466	50	40	JGGB	
Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1	9381798	INGFIUKWMWBORD-HUUCEWRRSA-N	460.581	3.160	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc([N+](=O)[O-])c1O	13427318	ATYQPIORLAKLPE-DNTJNYDQSA-N	452.261	3.217	50	40	JGGB	
O=C(NN/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O)c1ccccc1Cl	13749122	MHIFCEUEQLQNFA-UKTHLTGXSA-N	463.675	3.344	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1O	15225360	YYIBHPDIHKCIBU-VULFUBBASA-N	485.537	3.190	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	19950667	VIFHUKHURMJMPW-YZSQISJMSA-N	496.589	3.115	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1	20060280	HXANLOXNSDZBPL-PCLIKHOPSA-N	465.531	3.131	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C)cc1	33335333	VRVPOYFJIOJWPA-CFRMEGHHSA-N	476.371	3.127	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OCc1c(F)cccc1Cl	408609624	KPTGWXWZMHVAEN-KBKYJPHKSA-N	459.861	3.426	50	40	JGGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	408897829	ZSQDUPANHUZWKI-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1	409305901	XQMXHIKVLIOKMN-RTWAWAEBSA-N	480.542	3.332	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1	2229150	IOGFVHYISBECDU-DHRITJCHSA-N	476.514	3.048	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	9056759	PKLOQUKOONSVIG-ZVHZXABRSA-N	451.504	3.069	50	40	JGGB	
Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cccc2c1=O	12856332	WBNJHCRZTYPFAQ-NRFANRHFSA-N	456.454	3.369	50	40	JGGB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)c1sccc1-c1ccc(C)cc1	12998265	XLSMGWLGSDNLFN-UHFFFAOYSA-N	459.549	3.314	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1O	20059663	FUSZCYZACZSYNU-BUVRLJJBSA-N	469.519	3.109	50	40	JGGB	
O=C(N/N=C\c1cc(I)c(O)c([N+](=O)[O-])c1)c1cc2ccccc2o1	408852806	ILHNJJZYQMKGFT-LSCVHKIXSA-N	451.176	3.415	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c1	408875247	HWIBPPJGFHRTQI-HYARGMPZSA-N	459.549	3.111	50	40	JGGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1	409020402	OWNVPDMMPDHBAD-WPWMEQJKSA-N	460.534	3.096	50	40	JGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1	409029066	VFINZIJVSRGUNZ-CIAFOILYSA-N	499.374	3.331	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1	409265237	RNABITRAQHTTNM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1	35254675	AOOUZFUORAKZNV-YSMPRRRNSA-N	463.490	3.494	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NC1CCCCC1	59960101	CZBSTPOLPMWZHP-AFUMVMLFSA-N	456.930	3.257	50	40	JGGB	
COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)cc1	408643589	BYRWIFXFUXNRPJ-UHFFFAOYSA-N	491.500	3.211	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409156077	KKJXWPBTSRVOJX-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21	6166509	ASNJZKYNHGCEGV-FPISDSGLSA-N	477.590	3.421	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])C1=O)=C\c1ccccc1	8820663	HVPLGDKYKRDJMT-UJUKKVGJSA-N	482.543	3.204	50	40	JGGB	
CC(C)C[C@H](C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O	9120269	TWYFBQZTFPIYTO-HXUWFJFHSA-N	458.474	3.082	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	9233144	SCWQJADYBOIESA-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1	9882700	BYPOTANGVXNMFZ-BUVRLJJBSA-N	452.536	3.184	50	40	JGGB	
CCNC(=O)COc1ccc(/C=N/NC(=O)c2sc(-c3ccccc3)cc2N)cc1OC	36393630	DENCKSZMOGRYDU-LGJNPRDNSA-N	452.536	3.285	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Cl	409220740	FDZXJZZQCZBFGS-QPSGOUHRSA-N	457.339	3.194	50	40	JGGB	
CCNC(=S)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	1812046	RLCAMECTMLNPQH-UHFFFAOYSA-N	491.440	3.304	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OS(=O)(=O)c1ccc(C)cc1	2630390	WKFHBIMOMDJLNB-BRJLIKDPSA-N	496.467	3.137	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1	9312672	PYWQHHNYIRDXRJ-KEBDBYFISA-N	475.328	3.395	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)ccc1OC(F)F	17632277	SKXULMJBZJGEBS-UHFFFAOYSA-N	494.458	3.073	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(C(F)(F)F)c1	20211030	BBUIIJMTMLWLTJ-LSFURLLWSA-N	478.836	3.183	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1	59490189	UYUVVXNCSPGNCD-YZSQISJMSA-N	483.521	3.333	50	40	JGGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	59516146	MDHDYRZMKWWMOI-UHFFFAOYSA-N	475.567	3.344	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cc(OC)cc(OC)c1	408638536	RNGVDBWQZDFXDX-UHFFFAOYSA-N	475.958	3.189	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1	408776360	ZKLHHNAOZHZTTJ-OEAKJJBVSA-N	450.992	3.411	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1c[nH]c2ccccc12	409334512	SIXKSCFXLSIDGL-SSDVNMTOSA-N	464.467	3.264	50	40	JGGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1	9434202	YHTAWAIXNNYKCV-FQEVSTJZSA-N	473.489	3.134	50	40	JGGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1OC	12275631	YYEAQHCHPXBCFI-UPCLLVRISA-N	468.531	3.364	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NC3CCCCC3)cc2)cc1	58873117	IRBSKZLJOJLKPN-QQXSKIMKSA-N	466.538	3.002	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408609480	RNEWOYRUPNQYMO-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408611932	SMDUMGKCOWTCRM-CCVFCUKESA-N	468.312	3.457	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC	408786147	FPMCXLULSBZCED-WSDLNYQXSA-N	474.366	3.317	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	409163249	OFYFSXUGEXHSDH-UVHMKAGCSA-N	488.972	3.349	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1	409249988	KSKXDXPVQUOIOU-KWRYHKOTSA-N	474.945	3.039	50	40	JGGB	
Cc1sc2ncn(CC(=O)N/N=C3\C(=O)N(Cc4ccc(F)cc4)c4ccccc43)c(=O)c2c1C	958237	GCWOATSURORBBT-IADYIPOJSA-N	489.532	3.281	50	40	JGGB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)c1	2178212	UNYNWJCYTGQORI-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8811128	UUZPPEKYBZADJL-FOKLQQMPSA-N	450.875	3.072	50	40	JGGB	
N#CC(C(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)=C1Nc2ccccc2N1	13016137	HBOPQXYLLWGSEF-UHFFFAOYSA-N	459.413	3.495	50	40	JGGB	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cc(-c2ccccc2)n[nH]1	17519110	UBFUBMLLXIBRMC-QGZVFWFLSA-N	451.914	3.044	50	40	JGGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1	29763270	HDWFUMKKMNGEDS-PUTOPJQPSA-N	492.410	3.128	50	40	JGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1	408794999	UINZIHFYSZMMQB-RIYZIHGNSA-N	459.252	3.245	50	40	JGGB	
O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1cccc(Br)c1	408960769	ISTKEGVGZSUGFW-CFRMEGHHSA-N	484.354	3.418	50	40	JGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)cc1Cl	409255448	KPLFWQUDLUWSGG-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1	409272526	QWKWHZUTCRBFLB-RDRPBHBLSA-N	488.544	3.259	50	40	JGGB	
CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)NNC(=O)c1ccc(C)cc1	899224	CIGIRUDIUVFPTR-UHFFFAOYSA-N	452.584	3.389	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)Nc1ccccc1Cl	8451401	COTWMNLNAFRYNF-MFKUBSTISA-N	456.930	3.210	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)ccc1OCC(N)=O	9043199	CHOMUFQPRWLFEL-NRFANRHFSA-N	477.546	3.101	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1	9248590	MFOPGNXNUDFADT-UHFFFAOYSA-N	491.331	3.423	50	40	JGGB	
CCn1c2ccccc2c2cc(NC(=O)COCC(=O)NNC(=O)c3cccc(F)c3)ccc21	9849880	XPPBGSADFPDHRE-UHFFFAOYSA-N	462.481	3.370	50	40	JGGB	
Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NNC(=O)Cc2ccccc2)c2ccccc2n1C	9934499	UHCOCHVNIBTZSM-MHZLTWQESA-N	466.541	3.422	50	40	JGGB	
COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c(Br)c(Br)c1O	13583544	FXOMEALEIAHAJH-OEMJDJOBSA-N	486.116	3.216	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC	20212907	CMXJLXAHQYHFQE-YDZHTSKRSA-N	465.959	3.138	50	40	JGGB	
COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	39986469	GZWOTQVFHBUCDK-HAHDFKILSA-N	474.539	3.077	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	59960007	MCLWFOGYEICDKT-BWJYWGHISA-N	458.518	3.340	50	40	JGGB	
O=P(O)(OC[C@H](Br)CBr)OC[C@@H](Br)CBr	60169922	CBPKIOGAUWKEFT-OLQVQODUSA-N	497.740	3.437	50	40	JGGB	in-vitro
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]4I)c([N+](=O)[O-])c1	195528800	ONQRMRLNRDSIAF-UJSIJOOLSA-N	466.235	3.462	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc2ccccc12	408537785	XGADKNFUXNJQOJ-AMAFCZHPSA-N	479.290	3.217	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2)cc1	409272481	ZDGOXHIGBDEFFX-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	8780731	KQEWPUDQZQSBLC-AWQFTUOYSA-N	473.243	3.274	50	40	JGGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	9630919	RUGAJSJARRRRQO-UHFFFAOYSA-N	499.511	3.110	50	40	JGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(Br)c1	12289889	KESRWHPSMPVLPK-ZIAGYGMSSA-N	455.349	3.164	50	40	JGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	20213463	ZZBWRBXTWUVDRA-VULFUBBASA-N	462.453	3.446	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccccc2C)cc1	58919314	HYIDBQYAQLNKJR-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
CCOc1ccc([C@@H](NC23CN4CN(CN(C4)C2)C3)P(=O)(c2ccccc2)c2ccccc2)cc1	98045133	UVMCUXDIWHCRCJ-MHZLTWQESA-N	488.572	3.246	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)c(C)c2)cc1	100213491	YLQLNLJTIOWCBM-UHFFFAOYSA-N	476.558	3.280	50	40	JGGB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)c2ccncc2)cc1	112295038	HZUGJZMNPRHDIN-JWGURIENSA-N	457.490	3.058	50	40	JGGB	
COc1cccc(OC)c1/C=N/NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1	408971166	NHPFAUIPPXWGKS-MFKUBSTISA-N	477.558	3.317	50	40	JGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c1C	409150939	FGIPGPHKBUKARP-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1	9434172	OFHPOESNWYHMFH-FQEVSTJZSA-N	457.490	3.434	50	40	JGGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c2ccccc2c1=O	12811096	UZKAQGCECGFGIL-UHFFFAOYSA-N	470.595	3.344	50	40	JGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	19951261	WZVPRUMABHMRKJ-XIEYBQDHSA-N	452.536	3.216	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059750	UJHPIZPMSQWBMY-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	20213613	WFLGFKLGORDOMQ-LGJNPRDNSA-N	462.453	3.446	50	40	JGGB	
O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/[C@H]1C=CC(N=C=S)=C[C@@H]1S(=O)(=O)O	112982166	MWJNUFGPCDQGAP-YAEZDXNOSA-N	456.548	3.110	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)cc1	409168078	LHIQDHFKIXCBBT-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNc1nc(O)c3cnn(C(C)(C)C)c3n1)O2	1146388998	LQVIQADASGUZDQ-HSZRJFAPSA-N	454.531	3.145	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc21	16844351	BKTXHBDUWNPPAU-SLMZUGIISA-N	471.542	3.320	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(-c4ccccc4)cc3)CC2)cc1	30735260	WYQKWOMKTCUGMH-DIBXZPPDSA-N	476.602	3.119	50	40	JGGB	
COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN(CC(C)C)CC(C)C)c3ccccc32)cc1	33247737	BUCRNGIRWULQDS-QIZPUFOESA-N	493.608	3.484	50	40	JGGB	
N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1	98086338	RXFDLEPRMWAESR-XDJHFCHBSA-N	460.509	3.490	50	40	JGGB	
Cc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1Cl	408665499	MCSCNVGYJXXHNC-UHFFFAOYSA-N	466.321	3.415	50	40	JGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1	409010728	DHKCJNSKZRHDGQ-OEAKJJBVSA-N	457.439	3.194	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1	409259771	FARGMKMJTSVHJD-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cccc(Cl)c1	409267377	VGHDXSMGFIKWGI-VSRRSJTHSA-N	474.945	3.121	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OC	409315895	KDLLXDVNRLBWSH-YVNNLAQVSA-N	481.299	3.092	50	40	JGGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	1244144	DXTRXGLUUBXGMI-UHFFFAOYSA-N	491.345	3.170	50	40	JGGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	2239432	GKYPWYXQSSOKEC-OAQYLSRUSA-N	493.545	3.183	50	40	JGGB	
O=C(CSc1nc2ccccc2o1)NNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S	8820248	CQFWJUUJYSLKFJ-RIYZIHGNSA-N	490.613	3.030	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC	9189870	WKJJDBWCZAUJLU-AWQFTUOYSA-N	468.247	3.191	50	40	JGGB	
COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1	12275344	ROAWDCQVWQMBLZ-XDHUDOTRSA-N	466.515	3.134	50	40	JGGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(Br)c1	59515637	WXTQKLNRLLIHEE-FBCYGCLPSA-N	469.089	3.029	50	40	JGGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc([N+](=O)[O-])cc1	408756118	XQSWDJGQYXOETM-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	408771634	HTBMZZWYALNAFW-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	408781321	CAIJAVHAPUBCOC-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1	408927234	YSORFDIJDPNJLV-AFUMVMLFSA-N	481.530	3.078	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1O	409054902	OIPKUZLYRRQEBU-VULFUBBASA-N	485.537	3.190	50	40	JGGB	
Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1ccncc1	2619321	BOYOBRLAMDUQKW-UHFFFAOYSA-N	462.510	3.330	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1O	9289458	IXEDIDDGUHEBBD-SRZZPIQSSA-N	484.290	3.106	50	40	JGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)CCC(=O)c2cc(C)sc2C)cc1	9696662	CWWBGHFWRCZAMV-UHFFFAOYSA-N	459.568	3.178	50	40	JGGB	
CN(NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)c1ccccc1	14334221	SHHRMTQRBPXOTI-OAHLLOKOSA-N	452.374	3.017	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(OC)c1	20059270	DJSHHCICNAIYSZ-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
COc1ccccc1OCCN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2ccccc21	103041199	LVPBNJFMIOKZOJ-AZPGRJICSA-N	459.502	3.329	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	408784888	UVIMUQVGDBHGHR-AFUMVMLFSA-N	470.517	3.468	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	408789253	HUWCXXIZTMYRAY-AWNIVKPZSA-N	490.266	3.463	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)COc2ccccc2[C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1	684782	XUONVMXRHAZDGI-HSZRJFAPSA-N	491.500	3.135	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	4017863	UDILXOOIDXDVQV-LHDDCWEUSA-N	464.459	3.306	50	40	JGGB	
O=C(NNS(=O)(=O)c1cc(Br)ccc1Br)c1cc2c(s1)CCC2	12894507	AAYLYNQCNVTQFD-UHFFFAOYSA-N	480.203	3.385	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1O	16292548	SUXLTZFLMHHCAL-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@H](C)NC(=O)c3cccs3)cc2)n1	40024717	WHTUKSGIXUIHQX-HNNXBMFYSA-N	469.592	3.027	50	40	JGGB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C(/C=O)c3nc4ccccc4o3)cc2)nc(OC)n1	100929653	KUNVZTVDRSKENH-OWBHPGMISA-N	481.490	3.088	50	40	JGGB	
C/C(=N/NC(=O)CNc1ccc(I)cc1)c1ccc2c(c1)OCCO2	408590471	OZBGAPQCNZWVCG-MTJSOVHGSA-N	451.264	3.015	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408605438	KECYIJCIZKJYIJ-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408612000	TVKBDCQKEOLBRD-FVWOBLMASA-N	450.322	3.318	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	408759947	OSQHHSVMTVGGKI-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCCCC2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408847288	SVIVTBKKHRQHMK-SYVPYPDPSA-N	464.975	3.227	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1	409247479	CLSYIBRHGJIZOK-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	2319798	INKNPPNVMXOSET-DHRITJCHSA-N	462.897	3.424	50	40	JGGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21	13567747	FEQDRGFDKKFYRB-RUZDIDTESA-N	455.905	3.174	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1	19926394	FPHNXLCMBZTPFY-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1O	19948000	ZXZLQADCBODMEE-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	59443805	KKWABKBGFNNZDF-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2)cc1	59443812	GFVRQKPCJAUAFS-YZSQISJMSA-N	464.591	3.402	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)O	408743686	UIZIQFDJOGPAEO-QPEQYQDCSA-N	478.242	3.309	50	40	JGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1	408767215	KFKAFJYSQACHFF-WGOQTCKBSA-N	479.558	3.439	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408784831	VPOCAJCFDLIGLS-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(OCC)c2)cc1	408795649	LZFMKQUACGUALM-LDADJPATSA-N	452.463	3.359	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OCC	2176015	NCVLTIVHLAVXQM-BUVRLJJBSA-N	459.568	3.183	50	40	JGGB	
CN1CCN(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)CC1	8951755	HWVKVBIVLNMSTE-YWDBVWQESA-N	482.009	3.045	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1)c1ccc(CC(C)C)cc1	9076519	OIKJSAYKPTVHRQ-JVWAILMASA-N	473.541	3.197	50	40	JGGB	
C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NNC(=O)c5ccco5)nnc4c23)C1	13502593	OZGLAGFSUJJSPX-NSHDSACASA-N	482.591	3.488	50	40	JGGB	
Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)c2c(C)nn(C)c2n1	22705087	PWOWABYVOOPXMI-UHFFFAOYSA-N	468.974	3.115	50	40	JGGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	107657752	JAEVJCXMVFDWES-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccccc1Cl	408666256	XTWPGSDQCNXRLW-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	408828813	WCHMDCDLVNBJMK-NLTKLDOMSA-N	474.517	3.040	50	40	JGGB	
N#C/C(=C/c1ccc(O)c(I)c1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408905051	SLTRGXXSKGZKDM-NGUOXWILSA-N	455.259	3.205	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)O	409044273	BLMIBTVSDSNCKY-WUXMJOGZSA-N	496.232	3.448	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1cccc(C(F)(F)F)c1	409159667	RRGFAEPEYUVTJX-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	409208921	DGCNZDYXIHCWKA-QFEZKATASA-N	460.446	3.463	50	40	JGGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2I)cc1	409241011	WEUZKSZVWNZKDR-NVNXTCNLSA-N	461.259	3.281	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	409258568	VLDMLFWOVMABDJ-BTIIEKFUSA-N	495.363	3.384	50	40	JGGB	
COc1cc(=O)n(-c2cccc(C(F)(F)F)c2)nc1C(=N)NNC(=O)c1ccc(Cl)cc1	1401262	JCSZEBRILQIWHM-UHFFFAOYSA-N	465.819	3.173	50	40	JGGB	
CCOc1cc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C	9345327	HWJNZRXBUYRDDT-CNJGYECJSA-N	486.590	3.290	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)cc1	9605639	SJHQSLJOCWKHSV-DEDYPNTBSA-N	453.495	3.017	50	40	JGGB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	9913452	SPAOATDKWNHOAG-QGZVFWFLSA-N	488.569	3.312	50	40	JGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)ccc1OCCN1CCOCC1	19852610	PMCXTQVHZLRCEQ-HXUWFJFHSA-N	467.570	3.035	50	40	JGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CCn1c(C)nc2ccccc2c1=O	29760129	LFKRUDMWONFIDU-UHFFFAOYSA-N	456.930	3.063	50	40	JGGB	
O=C(N/N=C/c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	59921987	LABMKLPPSCQVSA-LPYMAVHISA-N	468.348	3.139	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1C	108236620	DOUSTCWXSZXEAV-MYYYXRDXSA-N	496.545	3.253	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408607972	GDYDNULOKFQTMK-FVWOBLMASA-N	450.322	3.318	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1	408759792	LQRWLPAEJOJNJF-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCC(=O)OC	408968343	VRSRWFLYXULSBX-YSURURNPSA-N	478.274	3.174	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	409164088	CHWWAILAFYLGJA-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(Cl)cc2)cc1	409350591	YCGRFMAYQNXRMN-SLEBQGDGSA-N	496.976	3.341	50	40	JGGB	
O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)NNC(=O)c1cccs1	9439790	YKJASLDHOMWRCY-UHFFFAOYSA-N	493.570	3.337	50	40	JGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cc(Br)ccc1O	19682694	OLRFRBCIHURWSO-FSJBWODESA-N	465.779	3.076	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1OCc1ccccc1	20061259	KAZGTZGTYYHJGF-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	20213459	AGWJEQBKYYKALY-WGOQTCKBSA-N	466.563	3.462	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1ccccc1Cl	59959767	RCNOLJSIOPLKBU-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
NNC(=O)C12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@@]14Cl)[C@]2(Cl)[C@@]53Cl	104078569	HGXWKYRLAUNUAN-RWGXGSSLSA-N	486.224	3.048	50	40	JGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408788827	IEBISFVXLWLCFG-ZMOGYAJESA-N	491.953	3.122	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1	409156532	ODNNTHNVPFNREO-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1OC	2309582	VXALDXYNCMYYPY-RTWAWAEBSA-N	479.558	3.422	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](NC(=O)COc2ccccc2C)C(C)C)cc(OCC)c1O	8461752	UYIJZWPFUBHLIH-SJUCLPJRSA-N	467.566	3.498	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1	19949384	JOKXIWGHTJWURL-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1	409162254	ZAPVXCQJUKWOJZ-MZJWZYIUSA-N	488.972	3.431	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)COc2ccccc2[C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1	684781	XUONVMXRHAZDGI-QHCPKHFHSA-N	491.500	3.135	50	40	JGGB	
C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)OCO2	8444302	JGILCZGIVNOJAF-BKHCZYBLSA-N	476.445	3.045	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1	13403928	NJBNMSFDHCLUFM-IBGZPJMESA-N	488.460	3.034	50	40	JGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl	26963851	PREBVVMVRSQGJZ-OXRZLYTFSA-N	496.976	3.412	50	40	JGGB	
O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408680826	GZVDYJZGXYPDAZ-UPGMHYFXSA-N	461.356	3.212	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O	408772950	JEVAIPDEAOMEKR-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)O	408790590	XDINLLCNZPFXRN-LFYBBSHMSA-N	476.239	3.375	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OCC)c1	409167091	HIFWLMGZHRRTBP-XODNFHPESA-N	494.470	3.098	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1	409261842	DNDWUTLDKSECHI-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
O=C1C(=Cc2ccc(N(CCCl)CCCl)cc2)SC(=S)N1CN1CCOCC1	2049236286	CVQVDWRDRYFJMI-UHFFFAOYSA-N	460.452	3.462	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1	1005098	FLZIUHSFXYLPTM-BUVRLJJBSA-N	466.567	3.338	50	40	JGGB	
COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc(C)cc3)c3ccccc32)cc1OC	46085078	UOHDTSNKVGIPIL-FVDSYPCUSA-N	459.502	3.458	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1	408976301	AKWINFLSRUILHV-QYJQOTDOSA-N	499.564	3.189	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OCC)c1	409155619	QLHQODBHQWXYPF-JFLMPSFJSA-N	468.554	3.086	50	40	JGGB	
Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1	409161508	YHRPISWFRHVUAB-BHGWPJFGSA-N	489.370	3.058	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	409175637	UAEMYKUKLOQRIR-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	409185396	LCWKYBRPPLTFCJ-AWQFTUOYSA-N	459.311	3.126	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c(C)c1	409264583	LBPWDIMXYIPAOT-RWPZCVJISA-N	482.581	3.011	50	40	JGGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Br)c3)CC2)c1	1095100	KERVWFMHBLBVIW-ZVHZXABRSA-N	474.355	3.469	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1cccs1	2628142	CXMQQJYLCPSTCO-UHFFFAOYSA-N	466.386	3.342	50	40	JGGB	
COC(=O)c1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(C)cc1Br	15134642	YHDBCIQTIQOEGT-ZVHZXABRSA-N	476.327	3.444	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	16187074	KOCGLAJUSQCWTN-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1	19926402	IGOPXQWOUCFTMI-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC	59416307	PDXGPKQAASHNSW-LGJNPRDNSA-N	477.473	3.457	50	40	JGGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	59720780	XFMGKQCZGUVWAE-FBCYGCLPSA-N	472.093	3.388	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccc(Cl)cc1	408669682	YDSAXFPBGNCBJY-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(Cl)cc1	408768201	CUPVDIHJXBVSPA-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408783899	OKFYMMBZIJVHFK-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(F)cc2)cc1OC	409139834	OXMQJKYXTFBLHQ-VULFUBBASA-N	489.500	3.328	50	40	JGGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1	2298204	UKNVQUMUONJQNK-LDADJPATSA-N	455.561	3.143	50	40	JGGB	
Cc1nn(C)cc1/C=N\NC(=O)c1ccc(COc2ccc(I)cc2)o1	8399516	GIUCUYDBNSNCBK-UKWGHVSLSA-N	464.263	3.269	50	40	JGGB	
C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1Cl	9659683	CMOAQVLCVLERAE-HNNXBMFYSA-N	464.909	3.172	50	40	JGGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc(OC)c1OC	12275501	QODNCGRRPKQFAF-MWTRTKDXSA-N	456.495	3.495	50	40	JGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12276139	XCYVKXZQLLBFEZ-XDHUDOTRSA-N	468.531	3.364	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1	13880685	XLEUBCPDCLWDKO-ZAARJVOSSA-N	471.469	3.123	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	16188645	FTVKRWDTJPDCKF-LFVJCYFKSA-N	451.504	3.062	50	40	JGGB	
COc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-]	408725335	FJYFDDDBLBXABV-IWIPYMOSSA-N	482.518	3.334	50	40	JGGB	
COc1cc(Br)c(CC(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1OC	14240144	FJOUTLKURQQTJY-UHFFFAOYSA-N	453.358	3.410	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccncc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332875	IQAVHFGHPQBDFZ-YWUCIWQNSA-N	474.554	3.229	50	40	JGGB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)c(OC)c(OC)c1	103918359	SFIVLZJJLSGPNI-JCMHNJIXSA-N	482.537	3.432	50	40	JGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	408570774	YIWOGJZONJBKQU-OEAKJJBVSA-N	488.591	3.439	50	40	JGGB	
O=C(Nc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1)c1ccccc1	408685192	OYUZNJSANIQVFE-KSCVBYKOSA-N	455.308	3.448	50	40	JGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)c1	408833884	WIDLXNQFMBCTTR-ATVHPVEESA-N	458.474	3.397	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408997712	OCZZIZBPGVNOEY-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1	409254720	ZZRYJZKONJSCBD-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1	1529545124	WZQLIEZDWFLMEQ-PIMBSSHASA-N	478.574	3.237	50	40	JGGB	
CCOc1cc(C(=O)NNC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)N1CCCCC1	10037766	KWTUWAPSUURMLB-UHFFFAOYSA-N	490.560	3.342	50	40	JGGB	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	10888837	PSZYOZOVAXRVJN-OAHLLOKOSA-N	488.386	3.204	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1	15905846	CKSGHQSLASUKRL-BPQIDWQFSA-N	450.502	3.187	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O	20212808	UHDCGHWYFOASBB-UFFVCSGVSA-N	488.791	3.336	50	40	JGGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OC	38534957	JOUIVNZIBYCRGK-RQZCQDPDSA-N	466.366	3.345	50	40	JGGB	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@@H]3[C@H]1C[C@H]1[C@@H]3C/C(=N\NC(N)=O)[C@H]3C[C@@H](O)CC[C@@]31C)[C@]2(C)O	70665752	UILOSARPFFZCST-ZNPCLGEDSA-N	486.701	3.342	50	40	JGGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cc(Br)ccc3O)c3sc(=O)[nH]c3S[C@@H]12	100872012	CRVRIWAGIWPONO-DCWPCGSJSA-N	480.361	3.092	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)cc(OC)c1OC	1081830	JASKOMOYKYMRJY-FSJBWODESA-N	473.327	3.484	50	40	JGGB	
CC(C)OCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O	2433574	KHAZHJDUCFBOBQ-SAPNQHFASA-N	450.470	3.464	50	40	JGGB	
Cc1c(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cccc1[N+](=O)[O-]	3297185	FHHXVPIYCUIITG-UHFFFAOYSA-N	489.513	3.156	50	40	JGGB	
COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	12032448	FSAQZRAGGHAGLB-XMHGGMMESA-N	469.588	3.446	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	58884330	WWMXLAOWIUFWGI-JEWIKEISSA-N	462.481	3.171	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C\c1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	58985692	FDJHOPQTBYUPKU-PLIDZJGOSA-N	464.485	3.026	50	40	JGGB	
O=C(CCCC(=O)NNC(=O)Cc1cccc2ccccc12)NNC(=O)Cc1cccc2ccccc12	97940374	SMUIVCYHSOQKKV-UHFFFAOYSA-N	496.567	3.243	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1ccc(OC)cc1	408820166	VSJFCIIHGUOKFE-SXGWCWSVSA-N	459.296	3.233	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409156319	FFDORWBUMUEXJS-BRJLIKDPSA-N	474.945	3.039	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(C)cc1	409233520	KXPGNFLFWMWRGT-CHHVJCJISA-N	491.285	3.289	50	40	JGGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccccc2)C(C)C)cc1	3144151	BGSZQLQCKCNOJP-HSZRJFAPSA-N	472.545	3.463	50	40	JGGB	
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	9634475	CFWIJVKSPDBCCF-ZDUSSCGKSA-N	454.483	3.271	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	12362296	AHFAMKSHBLPOOU-HAVVHWLPSA-N	452.492	3.331	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1	19926376	YSVGKFLVHQGQLX-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1	20060561	QYTHELGYZAUUNG-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408675921	CIVJVBHQPXZBAS-ZMOGYAJESA-N	490.354	3.374	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408768892	LDRUBUFVXRUUQJ-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)cc(I)c2O)cc1	409105602	IZCLLQYULCDZLI-OCKHKDLRSA-N	489.107	3.461	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1C	409167884	JTIKKKPSQHVMQY-DHRITJCHSA-N	489.370	3.141	50	40	JGGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	409254184	VRVYBSVJJAQPHZ-UFFVCSGVSA-N	463.357	3.119	50	40	JGGB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1O	2394987	SNOXWFDKQHGQHL-ZMOGYAJESA-N	490.501	3.496	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	8722037	AVPPZEMPTAOEIA-WKTMJKCCSA-N	488.544	3.430	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1OC	16215733	PWXBZUMLQCEROY-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccc(OC)c(OC)c2)c2ccccc21	97965283	FGMPKYMNMIIDIQ-VGNOKJMZSA-N	495.580	3.001	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)c1	408774515	PCTCENCPLHSXBE-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cccc(C)c2)cc1	408862706	IOSIWOKQKQXNOG-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409268348	SJEAUDWWFBYKRK-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1	2452897	GLQPPWCSQFOGQM-AUEPDCJTSA-N	468.930	3.251	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Sc3ncn[nH]3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1	2632839	JFWNSVVYHRTNGT-UHFFFAOYSA-N	495.496	3.486	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	16321295	HVXCVVXHNDYQHP-PCLIKHOPSA-N	480.546	3.208	50	40	JGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	19952676	NPAGXAFQTBRLKC-YDZHTSKRSA-N	473.352	3.190	50	40	JGGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	20342999	QVJVYAVIIAFTGX-KBKYJPHKSA-N	465.897	3.348	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccc21	101088032	JQFYGYTWZNFXHV-SLMZUGIISA-N	471.542	3.320	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)cc2)cc1	408906891	JXMZJUUZXCSPJE-MFKUBSTISA-N	481.530	3.047	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)ccc1O	409058625	UFMXMSBROUFHKU-NVJOKUIPSA-N	485.422	3.300	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1	409111778	DXYFNLNFLXMASO-MFKUBSTISA-N	472.954	3.479	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	409185575	MSSNKCYQTXASJW-OVVQPSECSA-N	495.601	3.396	50	40	JGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC(=O)N1CCOCC1	709390	QGIWACQHZWRXDF-GOSISDBHSA-N	467.526	3.155	50	40	JGGB	
O=C(c1ccccc1)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc2ccccc2c1	1059264	KMDANVHKMKNPAM-UHFFFAOYSA-N	491.550	3.325	50	40	JGGB	
O=C(Cn1cnc2ccccc21)N/N=C/c1cc(Br)cc(Br)c1O	8781155	REWGMHNRUNENDC-IFRROFPPSA-N	452.106	3.417	50	40	JGGB	
Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	19890551	RXGQFSDYYGBMNT-IBGZPJMESA-N	475.376	3.404	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1ccc(Oc2ccccc2)cc1	20059717	MEMZIPQCCMNENW-BUVRLJJBSA-N	467.503	3.093	50	40	JGGB	
O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cc2c(s1)CCCCCC2	21967299	XJXHUGWBIKOMHT-INIZCTEOSA-N	481.665	3.331	50	40	JGGB	
O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(Cc2ccccc2Cl)c1	28745941	RQTOOUVMTHLVAF-UHFFFAOYSA-N	463.719	3.187	50	40	JGGB	
CO[Si](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC	220271259	UUOOBMVZLOQJME-UHFFFAOYSA-N	475.327	3.474	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408880256	GYTZOUABUIHZHB-YZSQISJMSA-N	483.521	3.333	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1	409264362	FEAZTAIVVQJLRF-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CCC(=O)Nc1ccc(I)cc1C	3089996	RYYIFTIUVDNLBH-CIAFOILYSA-N	465.291	3.477	50	40	JGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2/C=N/NC(=O)CNc2ccc(C)cc2)cc1	3145773	KUCQANJWOLXOCA-CMNXJCJSSA-N	456.550	3.428	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)c(OCC=C)c1	6600883	BAOMRAZNLWMXLC-KOEQRZSOSA-N	487.578	3.131	50	40	JGGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)NNC(=O)c1ccccc1	9283826	GVDMKLOXTPSFJP-GOSISDBHSA-N	471.970	3.331	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccncc1	59444608	XZBQRRSYPJWALH-ZVHZXABRSA-N	487.379	3.185	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	59960247	MRWLXCZGYJJQDB-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
Cc1ccc(C)c(N2C(=O)C[C@@H](NNC(=O)c3ccccc3OCCOc3ccccc3)C2=O)c1	102314255	JLOPTBCMTASGGZ-JOCHJYFZSA-N	473.529	3.328	50	40	JGGB	
Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409119430	PPZDXIJJVSXPPY-UHFFFAOYSA-N	463.003	3.350	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	409261111	BGLXMTKSLHDZEO-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1cncc(Br)c1	1444658	DZBSQMMGJQDMAW-ODCIPOBUSA-N	459.212	3.328	50	40	JGGB	
CCOC(=O)c1ccc(C(=O)N/N=C/c2sc(=O)n(Cc3cccc(C(=O)O)c3)c2Cl)cc1	2230776	GZVKCSIWOACEDD-BHGWPJFGSA-N	487.921	3.250	50	40	JGGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1ccsc1	3669882	VLTQMVWQPPLPID-IBGZPJMESA-N	454.577	3.336	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1	20213414	SDELVDXERAYSJH-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)cc2OC)cc1OC	97990552	SKVHOWXNCOVPAO-LOHYDARVSA-N	466.490	3.134	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(OC)c2)cc1	409168197	LCYFGTZXQLAZBS-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1	409261843	DNDWUTLDKSECHI-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1	409263123	ACTDGVHCWURQEN-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(C)cc1C	409270729	HQUWGJQYOURXAD-CCVNUDIWSA-N	492.532	3.079	50	40	JGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1O	712042	DWQKFPOQRMWHFX-UFWORHAWSA-N	458.106	3.455	50	40	JGGB	
Cc1ccc(CN2C(=O)/C(=N\NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)c3ccccc32)cc1	1784099	QBJURDWQONHOMV-FAJYDZGRSA-N	485.569	3.451	50	40	JGGB	
C[C@]1(C(=O)NNC(=O)c2ccc(Br)cc2)CC1(Br)Br	2345384	BHTVGVHLVBGYIG-LLVKDONJSA-N	454.944	3.106	50	40	JGGB	
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2nc3ccccc3[nH]2)c1	8826032	WVMNVAPTYBFQCC-UHFFFAOYSA-N	497.964	3.045	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)C[P@](=O)(OCCCl)c2ccc(N(C)C)cc2)cc1	9087003	LTSPLIKWXXKKHH-TXXFDAPNSA-N	450.907	3.128	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1Cl	20213155	FJTPPIXWYAUKMX-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1cccc(Cl)c1Cl	408683139	KMHGASJAAHQYJA-LHPJPJGRSA-N	463.111	3.046	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1	408781113	AAFYDFXRGLCACL-WGOQTCKBSA-N	495.557	3.438	50	40	JGGB	
COc1ccc([C@]2(C(F)(F)F)NC(=O)N3N=C(N4CCOCC4)N(c4ccccc4)C3=C2C#N)cc1	3230827	LCUJVKMBFZXTFG-QHCPKHFHSA-N	498.465	3.337	50	40	JGGB	
Cc1cc(OCC(=O)NNC(=O)CSc2ncnc3c2cnn3-c2ccccc2)ccc1Cl	12493937	UVIVCDCMJVBSMQ-UHFFFAOYSA-N	482.953	3.096	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1	19949864	IXXTYWKXFPYABW-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c(Cl)nc2c1	20207585	RTHRZVNDSJVKGB-FSJBWODESA-N	460.943	3.122	50	40	JGGB	
Cn1/c(=N\NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2ccccc21	103050277	RMSOEISBYDMKIJ-IHUUDNNTSA-N	456.527	3.079	50	40	JGGB	
CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)CC1	138600417	CTAQDQOCZUFLMV-KSCVBYKOSA-N	461.356	3.068	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C	409259279	YLJYERFFLRFWOZ-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(F)cc1	409267887	PPWYQIWETHVIDA-CCVNUDIWSA-N	496.470	3.470	50	40	JGGB	
CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](CC(C)C)NC(C)=O	4707751	SWXCQOFAVJKBPJ-SFTDATJTSA-N	488.456	3.112	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@H]2C1	8411515	BEWXKIPKSQXURN-ZWKOTPCHSA-N	452.312	3.331	50	40	JGGB	
C/C(=N/NC(=O)CCC(=O)Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1	13882138	VFQBKLULCGYCTJ-MTJSOVHGSA-N	480.262	3.459	50	40	JGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1	408611426	QXNCNPPQVWIJJQ-PGGKNCGUSA-N	486.725	3.415	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(Br)cc1	408612690	WZBRLTUEHCTRPN-FSJBWODESA-N	462.344	3.402	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1	409168840	NYBZVOGZDZUAIA-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	409173213	NPIMGBODCUCTLF-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccnc1	59444606	XLRSVIKUBGBOMY-ZVHZXABRSA-N	487.379	3.185	50	40	JGGB	
O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	102302980	ROIRNLRPDNCXBI-CALCHBBNSA-N	488.931	3.267	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408771419	HZIHEZAJEGAPMZ-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1	409332766	MEKOBOQMOFZFSS-SSDVNMTOSA-N	487.929	3.111	50	40	JGGB	
Cc1ccc(-n2c(SCC(=O)N/N=C3\C(=O)Nc4ccccc43)nnc2-c2ccncc2)cc1	1474643	VJBVILIFORAFDQ-UHFFFAOYSA-N	469.530	3.202	50	40	JGGB	
C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cccc(Cl)c1	2742873	PANRQFBTYDRLLI-FSJBWODESA-N	466.958	3.153	50	40	JGGB	
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cccs2)ccc1OC	9508716	AZOUEOFURLCAMG-UHFFFAOYSA-N	473.576	3.042	50	40	JGGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(I)c2O)cn1	9948796	GOWQYZHQKMPEMB-WSVATBPTSA-N	460.069	3.227	50	40	JGGB	
CC(C)Oc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC(C)C)cc2)C=3C#N)cc1	12401641	HZWPZAQJQHBFOE-RMSJAVSJSA-N	498.608	3.436	50	40	JGGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(OC)cc1OC	15930381	PABDLVFNECIQIJ-AFUMVMLFSA-N	466.567	3.336	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccncc2)c(C)c1	33648578	LGVSCGGZOKYEQD-PKAZHMFMSA-N	464.591	3.391	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1	59472782	DCLMVZOSRAXENH-YZSQISJMSA-N	462.531	3.243	50	40	JGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Br)c(OC)cc1OC	408606840	RDYXSEBLTVBBEF-MRXNPFEDSA-N	479.356	3.414	50	40	JGGB	
Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)ccc1Br	408643517	AHNJJBLKSKJVMW-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1O	408676611	LJOYWKNTOQWQHP-CIAFOILYSA-N	465.291	3.370	50	40	JGGB	
COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc(OC)cc3)sc2=O)c1	2222906	QBOZRYDHFGMWRW-FOKLQQMPSA-N	459.911	3.171	50	40	JGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1	2744364	FIVXVNOLDIIZFN-UFWORHAWSA-N	455.106	3.314	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)c(O)c([N+](=O)[O-])c1	3085909	SGJWUBLVPWWTTI-WYMPLXKRSA-N	452.398	3.464	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1O	19926319	RMSFAVMMYQUUIC-ZVHZXABRSA-N	473.938	3.400	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OCC	20209320	IIFJUMPUKXWGGZ-LPYMAVHISA-N	453.948	3.054	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O	20209386	PASNWGVQCXUKDD-KEBDBYFISA-N	474.764	3.027	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1	96585590	RAUUODSVYQJIBP-ZMOGYAJESA-N	479.806	3.379	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2)cc1	408920997	AOYQNXSMYOMRJE-OVVQPSECSA-N	492.557	3.333	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	9261745	KAJFINQTINDMRR-XDJHFCHBSA-N	458.518	3.444	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)CC1	20274896	YQOFHTVXKRJSSY-TURZUDJPSA-N	472.545	3.073	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	33725789	XFKXSALKGYNRPI-MSXFZWOLSA-N	452.389	3.188	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c1	58853870	ZRURKROALJCTFA-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
N#C/C(C(N)=O)=C1\S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1	96306099	ZCSJUOYPXZONIU-WLVMFVESSA-N	471.336	3.147	50	40	JGGB	
Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cccc(-n4c(C)ccc4C)c3)C(=O)NC2=S)cc1	408762814	CBITVOQMUFFWBL-IDEIYSCTSA-N	473.558	3.182	50	40	JGGB	
Cc1c(C(=O)N/N=C\c2ccc(Br)cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N	409058003	RCLWFYMTUUWWNZ-MYKKPKGFSA-N	454.259	3.078	50	40	JGGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)c1C	409174988	XHQNBSYLLGZGKX-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1	409247006	APOOYJGGIZMSKS-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1	409249460	IOTNLFXTGCMTAC-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccccc1C(F)(F)F	409268068	XYUTVXGCEMCDSQ-KVSWJAHQSA-N	488.422	3.082	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409273651	ZTMQPCPBFWSFOD-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1	2617915	MXFGYJFSABULKB-UHFFFAOYSA-N	473.938	3.153	50	40	JGGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3081147	RKYPHKIEGLJQLA-BRJLIKDPSA-N	481.396	3.315	50	40	JGGB	
C=CCNC(=O)/C(C#N)=C/c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O	9375622	XSPDTZVPVCVXCX-XDJHFCHBSA-N	488.979	3.192	50	40	JGGB	
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1	9434175	JNPCRCODXQBALQ-HXUWFJFHSA-N	457.490	3.434	50	40	JGGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc2c(s1)-c1ccccc1OC2	10742407	POFBELBSYYFLRW-UHFFFAOYSA-N	462.575	3.281	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)cc1	12833729	HJAKNDGZOSFYSM-CYBMUJFWSA-N	466.592	3.326	50	40	JGGB	
C[C@@H](C(=O)NNS(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12	23249380	NDVQICVWCREHQI-QMHKHESXSA-N	474.542	3.111	50	40	JGGB	
Cc1cccc[n+]1[C@@H]1[C@@H](c2ccc(Br)cc2)C(C#N)=C([C-](C#N)C#N)N[C@]1(O)C1CC1	100023483	BUIVVPFEMFIUSN-QTJGBDASSA-N	474.362	3.471	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(N(C)C)cc2)Cc2ccccc2)cc1C	108994712	WGBQUQYTURXWCY-PKAZHMFMSA-N	494.617	3.411	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408749780	UEXUVWRHSACNKO-ZVHZXABRSA-N	499.501	3.452	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1	829773	IMTZHKQCVJWSGI-UHFFFAOYSA-N	492.557	3.062	50	40	JGGB	
O=C(NCCCBr)c1csc(-c2csc(CCNC(=O)C(F)(F)F)n2)n1	1576656	ORFOANUSGSQCGO-UHFFFAOYSA-N	471.324	3.002	50	40	JGGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(N3CCOCC3)c(Br)c2)c1C	4087329	VZFFLOCSMDGHRA-CPNJWEJPSA-N	487.398	3.363	50	40	JGGB	
Cc1c(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccn2c1C(=O)c1ccc(F)cc1	8877510	WLILQJCBBBAERS-RWPZCVJISA-N	481.491	3.422	50	40	JGGB	
COc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1	12042092	WUHBPNAQEVVNMX-UHFFFAOYSA-N	459.296	3.216	50	40	JGGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)cc1OC	13555842	CSWOFYQGOIQHCO-QOCHGBHMSA-N	456.458	3.038	50	40	JGGB	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1	23215464	YJFCJTTZAVBWEG-RVDMUPIBSA-N	467.532	3.021	50	40	JGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1	23738433	VIYMUSUADIUPHT-LICLKQGHSA-N	452.463	3.149	50	40	JGGB	
O=C(NNC(=S)NCc1ccccc1)c1cc(Br)c(O)c(Br)c1	59144884	HIZJHHLDOSFJAY-UHFFFAOYSA-N	459.163	3.226	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)o2)cc1	409116446	PITVJOZOJCQOJK-BUVRLJJBSA-N	469.519	3.283	50	40	JGGB	
COc1c(O)ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)c1[N+](=O)[O-]	15938628	BGRSDQDHHYGPLU-ZBKNUEDVSA-N	452.261	3.217	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)c1	20209979	VVNXDNJHHFUHQG-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C	59960039	GWORBQGZDDYLSO-CVKSISIWSA-N	450.539	3.220	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1OC	408773497	LHUIGNBEYQTMDL-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1	408780296	WZBQVBCUEKNMTI-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	408977771	FMZMQMWDHIFVHG-VQXFCIMOSA-N	472.498	3.164	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2F)cc1	408980929	ULHKUPLZILZBEF-YZSQISJMSA-N	469.538	3.218	50	40	JGGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	408999767	VTMRRJKMBALWBP-CVKSISIWSA-N	461.547	3.206	50	40	JGGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1	2590459	WDYXTEWCFQBIMM-LLVKDONJSA-N	455.330	3.188	50	40	JGGB	
CC[C@@H](c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1Cc1ccccc1)N(C)C	9375591	JLMNNQFRUPXHSA-IBGZPJMESA-N	470.574	3.032	50	40	JGGB	
Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NNC(=O)Cc2ccccc2)c2ccccc2n1C	9934500	UHCOCHVNIBTZSM-HHHXNRCGSA-N	466.541	3.422	50	40	JGGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1	13477137	AURQEEBGHACQLC-QJRCNPOPSA-N	473.485	3.187	50	40	JGGB	
COc1ccc(OC)c([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	16034927	HLXJRGIADUBUFF-CTNGQTDRSA-N	461.522	3.364	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c(Cl)nc2c1	20208763	KLTXTOQVUWRIAI-WYMPLXKRSA-N	474.970	3.430	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2)cc1	28215188	MMXSAGDXBYOBME-CVKSISIWSA-N	463.490	3.250	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccccc2)cc1	59443650	FPDGTVXKPRXOJT-CVKSISIWSA-N	482.537	3.125	50	40	JGGB	
Cc1ccccc1C(=O)NNC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1	89689127	FTQRYUVERYNQBC-UHFFFAOYSA-N	463.504	3.170	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1cc(Cl)ccc1Cl	408683453	LHQASUSXXKLWGX-BANCJSOYSA-N	463.111	3.046	50	40	JGGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Br)cc1)OCc1ccccc1	408991827	RDFTXVCUOHNUNG-SXPOYZCRSA-N	470.327	3.160	50	40	JGGB	
Cc1c(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N	409052750	IAJYLNOWRHGUHN-MZJWZYIUSA-N	485.435	3.015	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1	409259094	ZQAAMPNMJCNUFV-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1	409260507	RHPJUWVCKNITSK-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)ccc1O	1085714	KUGDIAICBJEGRI-UFFVCSGVSA-N	476.356	3.201	50	40	JGGB	
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c1OCC	1256216	CKVWVLUTFBNHCR-HRAATJIYSA-N	451.523	3.351	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)ccc1O	19948188	BWZCCWIXUQFWKH-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1	23217820	CFMIOADJJYCDIP-SFQUDFHCSA-N	457.914	3.426	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408607636	DVAFNWASTHARPN-LHSRNITLSA-N	450.322	3.318	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	408783935	QUFBSAOCCRUHSZ-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC#N	408969189	IUOXPLHKNJUHSS-NDPRVOFDSA-N	480.565	3.356	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1	409154958	PBVSPRVLUJCCCB-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1)NNC(=O)Cc1ccccc1	1223947	RYPFFZABBFNFSD-UHFFFAOYSA-N	478.965	3.465	50	40	JGGB	
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c1OCC	1256214	CKVWVLUTFBNHCR-IIBYNOLFSA-N	451.523	3.351	50	40	JGGB	
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2F)ccc1C	3435307	SRVBKJHRMMWQLQ-UHFFFAOYSA-N	455.511	3.424	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccs2)cc1	6073820	VCFNSNRFUQKIOC-LFVJCYFKSA-N	484.603	3.090	50	40	JGGB	
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	9414832	FAVJIUJSXFEEGF-UHFFFAOYSA-N	469.475	3.054	50	40	JGGB	
Cc1nc(CSc2ccc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)cs1	12985335	FNALBDAGQVHWPE-UHFFFAOYSA-N	465.560	3.066	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2cc(C)cc(C)c2)cc1	16309520	ZHJQPJMGRNNWQO-UHFFFAOYSA-N	476.558	3.280	50	40	JGGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1cccc(Br)c1	25257184	CAUGJTROTGDJPJ-CQSZACIVSA-N	474.142	3.317	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc1Cl	100394204	AIFPQPZOOAEVOZ-BEQXCEGASA-N	477.536	3.321	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409258166	RTGZGIXWZLWENQ-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(SC)cc1	1529547847	PUABDYPGFLRMTN-WGBQGACBSA-N	498.630	3.294	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cccc(Br)c2)c1C#N	1499525	WCJMSDTUCQLFNU-GZIVZEMBSA-N	496.159	3.462	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNS(=O)(=O)c1ccccc1	8820543	LHQUSHGTWQRYRA-NUTLWWKQSA-N	487.628	3.234	50	40	JGGB	
O=C(NN=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	20530079	FFSRXXDUOJFPJF-UHFFFAOYSA-N	479.558	3.067	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(OC)c1OCC(=O)O	59678597	RBMHWBLOVRUKBW-SSDVNMTOSA-N	494.285	3.256	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1	408661156	DOWZGSJEXYXEIJ-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1	408766376	CUFWNMGEZUXSLX-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1	408768632	IBGNSGWZGSIQEU-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC	408969028	GADSQYNRCLAXNQ-PCLIKHOPSA-N	491.997	3.464	50	40	JGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(I)o1	409048253	SBWKDDAPUUPDJW-REZTVBANSA-N	495.058	3.051	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1	409163708	WRPOQHQCOICPNW-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	409185136	JQPSYLATWYPKPP-OVVQPSECSA-N	495.601	3.483	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1	409255365	JTYWWKLJCANWMT-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
CN(C)N1C(N)=C(C#N)[C@@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)C2=C1CCCC2=O	12413954	GCHVHPWBQOWKQW-AREMUKBSSA-N	457.509	3.103	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	20060569	FVHNXQMWPDWUTE-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C)cc2)cc1	59443952	RRCXPRBRGASDRM-NLRVBDNBSA-N	465.575	3.387	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(Br)cc1	408780258	WIKUDBGCBOGGHI-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1ccc(Br)cc1	408995428	CPGKHOGZWRNHJZ-WGARJPEWSA-N	468.355	3.408	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N1CCOCC1	409012381	JREDWCLNTZURCN-STZFKDTASA-N	463.534	3.485	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)o2)cc1	409126210	ODQQLRPJJWNEAU-AFUMVMLFSA-N	487.509	3.179	50	40	JGGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	409141348	IGGBYRIJFHKAEM-YYHBXHNPSA-N	455.580	3.302	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C	409167560	IQEKQLCTOUMQSV-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(I)cc2)cc1[N+](=O)[O-]	409268188	RHQXKYJHHFLIQA-RGVLZGJSSA-N	468.251	3.160	50	40	JGGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(O)c(O)c1	1055638	PXYAPZFLSVSCPJ-FBCYGCLPSA-N	474.105	3.161	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	2055056	LRZVHYFVDSQGJP-WGOQTCKBSA-N	479.558	3.107	50	40	JGGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(O)cc1	9210711	LGFUUEDEKHVTQN-JJIBRWJFSA-N	478.538	3.083	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2F)cc1	19816730	LXJKZTXOLXIECF-AFUMVMLFSA-N	469.494	3.178	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2)Cc2ccccc2)c1	33689725	KSJJIHFYFZHALW-XYGWBWBKSA-N	467.547	3.045	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)C(O)(c1ccccc1)c1ccccc1	59678263	USKXUPPQMXRWNF-PCLIKHOPSA-N	484.350	3.265	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O	408752296	CYQKURUENSUROD-XAOCGEIJSA-N	489.594	3.162	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408861012	KUAJAQGVCZDSIL-UEIZDATPSA-N	465.959	3.051	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cc(Cl)cc(Cl)c1	408867536	LLDBFYAAGNGKHV-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCC(=O)O	408925933	VBPMBPLMWHBTKP-MDWZMJQESA-N	478.242	3.309	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1OC	409155998	JVFNLCDGLKZWPY-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1	409167364	IJROMVKZTMOYNS-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
CC[C@H](c1nnc(SCC(=O)NNC(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C	9375596	MQTOBPCBFRRCER-HXUWFJFHSA-N	466.611	3.201	50	40	JGGB	
Cc1ccc(SCc2n[nH]c3c2[C@@]2(C(=O)Nc4ccc([N+](=O)[O-])cc42)C(C#N)=C(N)O3)cc1	9460834	BXAXGSWYVQILJK-QFIPXVFZSA-N	460.475	3.243	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1	19949878	OHNXWPPFDKORSK-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20059875	SAQGSBVFHUTBKZ-ULJHMMPZSA-N	482.518	3.339	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-]	20232909	SSTCXVKLKUXZNQ-HZHRSRAPSA-N	468.491	3.192	50	40	JGGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C	27026259	VBFXBXWNBUKJTP-FGGAIWKESA-N	490.585	3.457	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1	408611406	QVOFLJKEMRCKNS-YEEYNWEUSA-N	458.946	3.339	50	40	JGGB	
COc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)c1	408689185	XTJRVLKRMPQTGF-YRYYUTHUSA-N	485.334	3.457	50	40	JGGB	
CCCC/C(C)=N/NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	408727862	GWXYLKXBERSDFM-XQNSMLJCSA-N	492.554	3.490	50	40	JGGB	
Cc1ccsc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	408969154	IEMWHNDCDCTQAP-UDWIEESQSA-N	470.414	3.370	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409153270	HKLSGHGYZCRSOF-BRJLIKDPSA-N	489.370	3.060	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1cccc(Br)c1	409229415	OPXLJDLVHYCZKH-ATVHPVEESA-N	470.323	3.232	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409258576	VLSGWCWANWILJF-PASSITCSSA-N	488.972	3.429	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1	28213898	XYILDVSVZWTZFB-QZUPYORJSA-N	461.971	3.256	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1	59960260	BXNZWICSDKWISB-NLTKLDOMSA-N	474.517	3.040	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2C(=O)O)Cc2ccccc2)cc1C	107759492	FQKBRYPNXPTJFO-YSMPRRRNSA-N	495.557	3.043	50	40	JGGB	
O=C(NNC(=S)NCc1ccccc1)c1cc(Br)cc(Br)c1O	408586154	MDISHSGWCJLNQJ-UHFFFAOYSA-N	459.163	3.226	50	40	JGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H]2C(=O)OC)cc1	409328075	YRSAZVDCMIPHDB-RBUKOAKNSA-N	481.486	3.053	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC	958181	FGSOMZBXGSPVKD-DSKMXOTJSA-N	454.552	3.455	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8810994	HXZPIPGTWNHVJU-SRZZPIQSSA-N	484.290	3.480	50	40	JGGB	
COc1ccccc1-n1c(SCC(=O)NNC(=O)c2cccc(C)c2)nnc1N1CCCCC1	12527490	GMHGGRFYUVDNOR-UHFFFAOYSA-N	480.594	3.128	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Br)cc1	408537077	UMBXMBTXWAVUIW-UUCQMEITSA-N	497.227	3.083	50	40	JGGB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O	408647335	WXEFUWQWTLPBRD-ZDUSSCGKSA-N	450.720	3.225	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c(OC)c1	409019884	XSYYDBPEKKBIRA-ODDBZWQPSA-N	455.555	3.381	50	40	JGGB	
N#CC1=C(N)C(C#N)=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1c(F)cccc1Cl	1053043	LMNATNRDAGKBHX-KDRVJRGFSA-N	487.318	3.337	50	40	JGGB	
C/C(=N/NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1)c1ccc(OCc2ccc(C(=O)O)o2)cc1	8815652	RNDGOAMNADVTST-JCRYTKJOSA-N	455.427	3.071	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(Cl)cc1	13512369	CNDQWXSVZRUGSY-FSJBWODESA-N	468.930	3.332	50	40	JGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CSc3nnnn3-c3ccccc3)o2)c([N+](=O)[O-])c1	27499998	FJWMIHNCBYXXAP-WSDLNYQXSA-N	479.478	3.082	50	40	JGGB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1	138896930	XYHGYBRGOGUJPA-UHFFFAOYSA-N	470.323	3.475	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1	408927335	ZGWJIXYICVOMHD-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(C)cc1	409183412	CCGCFQSBYGCTLM-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	1262078	DVYQYKAGPBLKFV-CWTRNNRKSA-N	486.322	3.045	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	1812871	PISLFKQXJDXRTJ-LFIBNONCSA-N	490.950	3.301	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Cl)c1	8440864	DDNVRGQPAUJAIU-MVDPLZLPSA-N	498.391	3.207	50	40	JGGB	
O=C(NNC(=S)NC[C@H]1CCCO1)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1	8782503	JFGMBIGCZZPRPU-GOSISDBHSA-N	476.606	3.463	50	40	JGGB	
CCCCOc1ccc(C(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1OC	16061038	JLCCDVBZXWTCBO-UHFFFAOYSA-N	484.940	3.457	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2cccc(OC)c2OC)c1OC	20274579	LTUOMVALMYMMGO-CTVDDJEBSA-N	484.553	3.272	50	40	JGGB	
O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O)c1cccc(O)c1	101027846	DIKFWKNFVGSZGE-OOAXWGSJSA-N	481.917	3.238	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OC	408779547	YGIJGWMHLWYQJQ-LFVJCYFKSA-N	455.536	3.163	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(SC)cc1	408948689	PUABDYPGFLRMTN-QFIPXVFZSA-N	498.630	3.294	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1	409158779	YYLDXLDMJBDDLU-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	409262788	HFYWSCKTADRVES-RDRPBHBLSA-N	488.544	3.259	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)c(OC)c1	1800957	TUMUAIQNPUUUIN-WSDLNYQXSA-N	470.511	3.133	50	40	JGGB	
COc1c(Br)cc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccs1	1859598	CTHAGMNHPJZUQW-UHFFFAOYSA-N	493.202	3.231	50	40	JGGB	
N#CC(C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)=C1Nc2ccccc2N1	3446032	ITPYUYFJBNMGRX-UHFFFAOYSA-N	464.437	3.486	50	40	JGGB	
CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	9647852	VQMQRCJODZEKPP-UHFFFAOYSA-N	461.902	3.379	50	40	JGGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)CO/N=C(\C)c2cccs2)c2ccccc21	13756063	RZVXDJLTMFWOGM-QTJCYVKMSA-N	455.584	3.435	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19950711	HLJGVAVDGPFQPX-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccc1	20573180	KOQLZMQHONHGIK-KKSFZXQISA-N	462.506	3.138	50	40	JGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(OC)ccc3OC)c2C)cc1	58913628	HBJKBPKJDOAUOL-AFUMVMLFSA-N	450.495	3.209	50	40	JGGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	108148699	ZODCBSXNXGEHQA-FMCGGJTJSA-N	463.874	3.282	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4[C@@H]5C[C@@H]3[C@H]3[C@H]5[C@@H](I)[C@@H]4[C@H]23)c([N+](=O)[O-])c1	245283741	ONQRMRLNRDSIAF-VYNGHTPOSA-N	466.235	3.462	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408611032	PNQXOPSHPDGCHS-ZMOGYAJESA-N	462.344	3.403	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	408751726	BWPZBMYIVKEBBJ-VXLYETTFSA-N	469.235	3.371	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1OCC(=O)O	408808858	GHPDZMNFTMWMFL-CXZOQJFISA-N	498.317	3.365	50	40	JGGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4cccc(Cl)c4)o3)n2c1	408830504	YLOHXHVDDURTCO-PPDIBHTLSA-N	492.923	3.216	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408923848	HHVWOOSDBUAXRC-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	654748	AQIMIKHBSBFWRP-OAQYLSRUSA-N	451.435	3.437	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nc3ccccc3c2=O)cc1	1277428	OGBCHAHBTBBEKV-AFUMVMLFSA-N	460.515	3.342	50	40	JGGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nc2ccccc2c1=O	1473997	COWHQJIGCQSERC-DHRITJCHSA-N	460.515	3.348	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	1920531	FXQBSBOLNSRDKR-OEAKJJBVSA-N	481.538	3.238	50	40	JGGB	
Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NNC(=O)CCC(=O)NCc1ccco1	9434877	PYDOQYSYGUBFBG-UHFFFAOYSA-N	488.544	3.435	50	40	JGGB	
O=C(CCCCCCCCC(=O)N/N=C1/C(=O)Nc2ccccc21)N/N=C1\C(=O)Nc2ccccc21	13583573	IAASHHQLXRTFGI-UHFFFAOYSA-N	488.548	3.052	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cccc(Cl)c1Cl	408921333	GHBPHYKXDFQQKC-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
O=C(NNC(=O)C1CCCCC1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1	9390594	YTKGYJYTSZQXGJ-UHFFFAOYSA-N	467.950	3.299	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1	20060100	PYGZPEJGCOXFQB-CVKSISIWSA-N	495.557	3.468	50	40	JGGB	
COc1c(Br)cc(Cl)cc1S(=O)(=O)NNC(=O)c1c[nH]c2ccccc12	24253296	DMNATTVGSTVVMF-UHFFFAOYSA-N	458.721	3.216	50	40	JGGB	
C=CCOc1cc(Br)c(C(=O)NN/C=C2\SC(=S)N=C2O)cc1OCC	36613163	WYHBZJSYECXDJX-JYRVWZFOSA-N	458.359	3.477	50	40	JGGB	
CC[C@H](C)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O	100771457	CFNIGCYRNHVPFF-LAHSYWNISA-N	497.585	3.133	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OC	408725766	JWGYXVHVNHHVRW-LSFURLLWSA-N	450.289	3.147	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	409166762	FPEMFOLRKRGDQA-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	409264030	KFRCZGSRNKCPES-OBPDLJBASA-N	495.363	3.384	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	2253071	KOHCDDUZCGQUSV-OAQYLSRUSA-N	482.581	3.133	50	40	JGGB	
COc1ccc(NC(=S)N(CCO)/N=C(\CBr)c2ccc([N+](=O)[O-])cc2)cc1	4289074	INUQHSPYCZHUQQ-HEHNFIMWSA-N	467.345	3.394	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	9540272	IDNHMYBWWOMQQI-HZHRSRAPSA-N	467.507	3.226	50	40	JGGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)cc1	10475995	WPDLSNKMYQJFRI-FSJBWODESA-N	479.327	3.101	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)cc1OC	13062672	PFYVXNRLZVTFSO-KRWDZBQOSA-N	479.986	3.060	50	40	JGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1	408612713	XHOLRGZZMFAPIL-LIMNOBDPSA-N	472.698	3.025	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)O	408904959	RBTBIVQROBWLEK-WNFQYIGGSA-N	492.238	3.339	50	40	JGGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2cccnc2)cc1	1479564	SDOANJJCVZJKSD-CVKSISIWSA-N	459.535	3.365	50	40	JGGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)cc2O)cc1OC	8934991	QOWNCASZMDZWCS-HASMNMLKSA-N	461.474	3.036	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3cccc(Cl)c3)nnn2-c2nonc2N)cc1	9498552	KYJONVVMMMQWHO-AUEPDCJTSA-N	468.930	3.251	50	40	JGGB	
CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br	14770929	OCIAWAIMUITJBJ-UHFFFAOYSA-N	456.749	3.451	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccccc1	16285121	YZDQMWMAYGWONB-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)c2ccccc2)cc1	18191705	LGVSVAZXZPMYOO-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Br)n1	28289360	MJXGBMLGMAOUCF-UHFFFAOYSA-N	460.151	3.188	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)N1CCCC1	409153066	GVKIHPPDPLDQFM-VULFUBBASA-N	486.956	3.137	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1	409164782	NVFJFHFAYQVELL-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)n1	409242397	UOSKQHRCLYAWFH-BRJLIKDPSA-N	467.526	3.492	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(Cl)c1C	409269711	LZKOCTNSJGTDIM-KKMKTNMSSA-N	498.923	3.034	50	40	JGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(O)c(Br)c1	409365489	QWXOMIJYEDELNZ-UKWGHVSLSA-N	470.117	3.381	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(OC)c1OCC(=O)OC	1416776	HODXKPHTSWADNK-DHRITJCHSA-N	452.463	3.494	50	40	JGGB	
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cccs3)ccc2C)cc1	9587061	CQEZNIQLYVOQNY-UHFFFAOYSA-N	459.549	3.331	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1O	19949245	AFNJVELHGMSLMY-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1cccc(Cl)c1	58873575	HTIOVGJVSUUWCZ-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1	58882801	IJZXWHOZKWDLDS-YUMHPJSZSA-N	477.517	3.423	50	40	JGGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2cc(Br)ccc21	100180248	MMSKRJUXZTUFAW-CLCOLTQESA-N	458.360	3.404	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCC(=O)O	408544919	YPUREYLDSQQGPG-ACAGNQJTSA-N	475.251	3.165	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1	408658964	OLVZNNWNSCKJGX-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccc(C)cc1	408775657	IUMWMDLVHUAEFC-CVKSISIWSA-N	497.573	3.372	50	40	JGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409067634	GRZUMVHYIXTVNV-REZTVBANSA-N	455.246	3.214	50	40	JGGB	
CC(C)n1cc(/C=N/NC(=O)[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21	409169561	QVLWCCFBOVWSIV-BMYBCIMUSA-N	466.454	3.307	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1	409263471	LEFLSNYWRHXFRR-RDRPBHBLSA-N	486.528	3.035	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3cccc(Cl)c3)nnn2-c2nonc2N)c1	9346270	VJYDVYHHGWTDPP-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	19955534	SZENRQOOXXWAFJ-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)s2)sc(C(N)=O)c1C	20294887	AYJPVDYDHCIZNZ-VMPITWQZSA-N	454.327	3.312	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)NNC(=O)c1ccccc1	408645414	LKDNDLRCEAGGQL-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408773142	SWUBDJDAGSQTLJ-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cc(Br)c(O)c(Br)c1	409072666	KGPNEBSDUFHZFL-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409261644	CHSXSEXSODKBGR-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	654746	AQIMIKHBSBFWRP-NRFANRHFSA-N	451.435	3.437	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1O	16693292	OFPCIQLEXBKNKH-PCLIKHOPSA-N	467.547	3.132	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1	28214973	WYISQEHWKDPPMB-CJIZWWJESA-N	459.502	3.233	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2)cc1	28215103	AUNXCPZZEATAIN-DHRITJCHSA-N	479.562	3.362	50	40	JGGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Br)cc1	59515632	INGVEPJRULVTND-FBCYGCLPSA-N	469.089	3.029	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)c2ccccc2OC)cc1	409028075	JPEYZHUIODVXHD-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1	409137664	XUHZDRVXGTXLHY-MOPGFXCFSA-N	455.923	3.450	50	40	JGGB	
C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409141694	JOVAKBDZRHTAKC-YZSQISJMSA-N	464.547	3.489	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(O)c(Br)c2)c(Br)c1	1437565	WKMIAMPBLWMSJH-UFWORHAWSA-N	458.106	3.455	50	40	JGGB	
NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl	9508288	QKDUUFODKXRBKT-CQSZACIVSA-N	493.372	3.033	50	40	JGGB	
O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccc(Br)cc1	9805698	OBGCXIYJKIZJEH-UHFFFAOYSA-N	475.126	3.172	50	40	JGGB	
Cn1nc(C(=O)NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc2c1=O	12783887	JJJKWASLDBYRFI-UHFFFAOYSA-N	462.893	3.241	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cc(C)cc(C)c2)cc1OC	20232083	NFODSBHJVDGTJC-CVKSISIWSA-N	482.562	3.061	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(C)c2)cc1	33785000	BPHZJZHHLVVQAF-NLRVBDNBSA-N	465.575	3.387	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1	58882082	DNIBFNNUSXHRRQ-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC	58914864	CYEHGWBSMSYKGN-CVKSISIWSA-N	480.477	3.071	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409226113	SVRDIIPRDSYIOM-QRVIBDJDSA-N	464.390	3.495	50	40	JGGB	
Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2c(Cl)cccc2Cl)cc1	12814533	LHDLWOWQBCFJKB-UHFFFAOYSA-N	472.379	3.038	50	40	JGGB	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)cc1	13117810	RIKABMDKCXIADN-UHFFFAOYSA-N	462.531	3.454	50	40	JGGB	
CCC/C(=N\NC(=O)C(N)=O)[C@H](CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1	17194906	TXLBRGLHDVCRNH-PCOXXFRUSA-N	478.593	3.349	50	40	JGGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	29763262	HDWFUMKKMNGEDS-WSUBEINOSA-N	492.410	3.128	50	40	JGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(S(=O)(=O)c5ccccc5)cc4)[C@@H]13)[C@H]2Br	138514347	BDQFFXGNVNUXNU-KSCVBYKOSA-N	476.348	3.029	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1	408610311	NMMNGOQVDYUURF-LGJNPRDNSA-N	458.946	3.142	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl	408647615	VLPLYFCOKPJCKY-UHFFFAOYSA-N	452.294	3.025	50	40	JGGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1	408982818	ZHPIPLJQRVGPRQ-LFVJCYFKSA-N	453.520	3.186	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409162862	IVARKLNHRWUJHO-NLTBIBMSSA-N	481.144	3.420	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409247032	AUURNFDWRNNKEJ-QOOAEOCLSA-N	482.581	3.393	50	40	JGGB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(=O)[C@H](Cl)[C@H]3c3ccc(OC)cc3)cc21	1084155	PPDZCJUEYODALN-RTBURBONSA-N	459.861	3.385	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3Cl)nnn2-c2nonc2N)cc1	2377009	PCRFUCJHFJISJA-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
C=C(C)CNC(=S)NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1	6073599	VVIDPOVQRLUFOH-UHFFFAOYSA-N	498.634	3.115	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1	9101795	LQSLJDCUGJURHU-HNNXBMFYSA-N	473.002	3.405	50	40	JGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	9630948	SCJZCLSQFBATMG-UHFFFAOYSA-N	466.003	3.102	50	40	JGGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	20209846	HXGXQXNBWRXGGU-WSDLNYQXSA-N	482.400	3.400	50	40	JGGB	
O=C(NNC(=O)c1ccc(Cl)cc1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1	20365293	QWRLFYFNIWLCBY-GFCCVEGCSA-N	476.242	3.425	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)Nc1ccccc1	58928441	PEHCMXLAYXPNLQ-MTDXEUNCSA-N	472.545	3.300	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2OC)cc1	59443964	FRCPICJVVFJPFE-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(CC)cc1	409255254	HMFYHHJCBVXUML-RWPZCVJISA-N	492.532	3.025	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1OC	409390391	CVKFFYIEAMUFIT-KEBDBYFISA-N	470.263	3.177	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nnc1-c1ccc(Cl)cc1	1473945	BCLHOOJNKFUUIQ-FOKLQQMPSA-N	473.942	3.324	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3cccc4ccccc34)nnn2-c2nonc2N)c1	2216548	NVHYJEAWOVHVDN-VULFUBBASA-N	468.477	3.215	50	40	JGGB	
CCN(CC)CN1C(=O)/C(=N/NC(=O)Cc2ccc(OC)cc2)c2cc(Br)ccc21	9331208	SHISIQNFRXCULD-NJNXFGOHSA-N	473.371	3.167	50	40	JGGB	
CN(CC(=O)NNC(=O)c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1	12815641	FNEPJFWOCMXVMU-UHFFFAOYSA-N	487.965	3.001	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OC(C)=O	408756239	PASYXCZYQOLAMT-BHGWPJFGSA-N	472.295	3.460	50	40	JGGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966410	MQMHYTBXILWQHW-FSJBWODESA-N	475.368	3.268	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1C#N	1499502	BWWZHBSATGWTOS-GZIVZEMBSA-N	451.708	3.353	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3Cl)nnn2-c2nonc2N)c1	9346365	RVDOPTAISBWYGT-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccccc1Cl	408644109	DAHYKDNGBUEEJY-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1	409063212	IRMLAOOWGZSIIH-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCC(=O)OC	409238811	LJNRQDAMNJALKJ-KSEXSDGBSA-N	467.291	3.232	50	40	JGGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nn(C)cc1I	787528	ULUPJYARULEGHQ-YAXRCOADSA-N	453.067	3.104	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1	3117323	WCAPIHDWMUXRJZ-YDZHTSKRSA-N	464.390	3.495	50	40	JGGB	
N#C/C(=C\c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nn(CCO)c(N)c1C#N	8397196	VPXYLNCQVDBAAF-CPNJWEJPSA-N	490.568	3.282	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1I	8894472	XEJVMEOLQYHTDN-UHFFFAOYSA-N	495.317	3.097	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1	19948322	PSSCAZQRPWYIDA-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	59436962	QRDCLOHXQUGNQF-YZSQISJMSA-N	483.521	3.333	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1O	408541000	AQELSMAWOCMLNX-XGICHPGQSA-N	464.215	3.249	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OCC(C)C)c(Br)c2)c(=O)c1C#N	408604600	VQORZUYKRZVBPZ-KIBLKLHPSA-N	489.370	3.122	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C/c3cccc(Cl)c3)c2=O)=C(C#N)[C@@H]1c1cccc(Cl)c1	408973302	AMDFXUCBIGXPCH-VPDFPHFYSA-N	451.338	3.168	50	40	JGGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)oc12	409075802	UMAHUURSWBLXKD-FBCYGCLPSA-N	479.199	3.490	50	40	JGGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2)cc1OC	16136902	AWSBEHNZZQJTDC-MFKUBSTISA-N	492.370	3.086	50	40	JGGB	
Nc1ccc(/C(=N/NC(=O)C(=O)N/N=C(\c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1	17314785	GATBLJZDBMWHLG-YESHOFFLSA-N	476.540	3.288	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	19955696	YMHNMJUFELJZFJ-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408611252	QLGDJWOJJBPQEO-CVHZQBDDSA-N	450.322	3.318	50	40	JGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I	408677026	OOTBZJCIKYYVEQ-WSDLNYQXSA-N	493.301	3.119	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC	408763014	GVBLIFSSCBRXTM-UDIPQKBFSA-N	461.584	3.246	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1	409168225	LPWRNLZMOSKAHK-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cc(C)ccc1C	409262387	HFXLYJZUNJONFT-WGFYCLKKSA-N	468.554	3.084	50	40	JGGB	
CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)c1ccc(C)cc1	876359	FBMXHQFQGXSAJK-UHFFFAOYSA-N	459.959	3.392	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1cccc(F)c1	1435281	RJNUNKGSFZLUAC-XFBJJFJZSA-N	450.422	3.344	50	40	JGGB	
C=CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O	2618518	JEMKBJUKZAVXQF-UHFFFAOYSA-N	462.984	3.468	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	9329218	LBQQFDYBQOHLDV-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(O)cc2O)cc1	9908335	FXGCWPAPSJZZEG-GLNFSZTPSA-N	462.481	3.224	50	40	JGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)cc1OC	12276091	RFZHAZSNWCLFOV-FYSMJZIKSA-N	468.531	3.364	50	40	JGGB	
CC(C)(CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)N1CCOCC1	23171016	OLXCAJGYZAMIEZ-UHFFFAOYSA-N	483.409	3.150	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OCc1ccc(C)cc1	408734703	CDMDCTOGMWIDME-CVKSISIWSA-N	456.506	3.386	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc(Br)c(O)c(Br)c1	408904096	DPXICGXLPMPDBQ-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	2423620	UTLYKVFHMNUDQD-XMJIKXADSA-N	460.490	3.006	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC)c1	3204442	WDDZOYVIVXLWAM-FYJGNVAPSA-N	468.373	3.252	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N/N=C/c3ccc(Br)s3)C2)cc1	9144630	PVKVBPWSQHHSFL-XLTHYULKSA-N	470.414	3.370	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	16311362	ICPGOLHHEOESNT-CVKSISIWSA-N	495.605	3.132	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3c(C)oc(C)c3C)c2)cc1	24984263	RYSUIVFZYCEFGT-UHFFFAOYSA-N	457.508	3.089	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccc(Br)cc1	408661841	DCKVOHNMOWNPQB-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1cccnc1	1826624	JGEJFGRNMAQXFI-LFIBNONCSA-N	460.968	3.178	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(F)cc1	8820465	CDNQBKKQQICFLC-DFBITEFZSA-N	455.536	3.434	50	40	JGGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	9220392	RUPSBPUPZMNEDD-NRFANRHFSA-N	487.541	3.014	50	40	JGGB	
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1	12274866	QFDNHXRTKLPLLF-GZTJUZNOSA-N	475.979	3.401	50	40	JGGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	19859292	FDKJBETYIROJAG-IBGZPJMESA-N	461.349	3.014	50	40	JGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O	20213771	JPXDTPXEZWAZIW-WSDLNYQXSA-N	481.416	3.048	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1	58926005	DXZXUNMPLBQZGG-UHFFFAOYSA-N	482.949	3.392	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(F)cc1	59247157	FNKYIXQAERPEGB-YUMHPJSZSA-N	455.530	3.314	50	40	JGGB	
COc1cc(C(=O)Nc2ccccc2[C@H](NCC(=O)NN)c2ccc(Cl)cc2)cc(OC)c1OC	95946406	HVNDJQFPFRNLLL-HSZRJFAPSA-N	498.967	3.287	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(OC)c1O	102800645	QALLTTPQFVWFDC-CIAFOILYSA-N	461.521	3.036	50	40	JGGB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3)C2=O)o1	108319826	MBXJZKVHBCMRQR-PDGQHHTCSA-N	491.412	3.287	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OCC	408923368	WSDIYBKQTQCTKZ-UPMNJHNBSA-N	489.594	3.354	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1	409166008	BZPBOHMCHANRMP-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-]	409223041	FCKIEYVNHHMYHJ-YAWPGIFISA-N	450.363	3.479	50	40	JGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	2503558	HKWGHICAKOLXTP-VXKWHMMOSA-N	454.486	3.316	50	40	JGGB	
O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)NNC(=O)c1n[nH]c(=O)c2ccccc12	10468197	IDTRYSXQPMRMOI-SFHVURJKSA-N	472.530	3.242	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1)NCc1ccco1	16431713	BJFSPANWYRMGGA-IPPBACCNSA-N	482.496	3.239	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19948092	FXMGFOPFAPNNPR-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)[C@@H](C)NC(=O)COc3ccccc3)c2C)cc1	32114437	OROGSABHCNELDP-OAKYDWFHSA-N	490.560	3.305	50	40	JGGB	
O=C(NNc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)c(Cl)c1	408727454	YRSKHFOVOXVHJB-UHFFFAOYSA-N	467.361	3.154	50	40	JGGB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)c1	409170805	XUARANMMCRRNGY-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)c1C	409171283	ZKBJNEWMVKYWNW-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)N(CC)CC	409198587	CGURAQSNCAGCGW-RGVLZGJSSA-N	479.533	3.285	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	409257728	RZSLCTBMYDNEHC-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1445295	ULCNVDRUFAFXRE-IBUSPFOHSA-N	463.446	3.396	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1	8820665	HPBOLODKEMEJOX-UJUKKVGJSA-N	482.543	3.204	50	40	JGGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21	9237248	CGUYVJTXMVWQGW-MPMLWTIJSA-N	457.442	3.054	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C	9631401	RSUUUNYFCVZCMK-XTKHEPACSA-N	481.549	3.154	50	40	JGGB	
C[C@@H](C(=O)NNS(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12	23249384	NDVQICVWCREHQI-HJPURHCSSA-N	474.542	3.111	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c1	409168707	NBZOJRAHZVNKNI-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C=C1CC(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)C1	409336198	SXKCCNNALVLJKS-OMCISZLKSA-N	482.059	3.018	50	40	JGGB	
CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)COc1cccc(C)c1	6878282	ZIKHEAKUQZHFBT-UHFFFAOYSA-N	489.985	3.157	50	40	JGGB	
O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1Br	8396040	NCAXLTMKSOPITQ-UHFFFAOYSA-N	466.085	3.393	50	40	JGGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC	8691367	PJHYCKYXDUORHM-JFCTXRHESA-N	473.485	3.354	50	40	JGGB	
CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	9288478	MLENTHJHBAXXPA-RIYZIHGNSA-N	484.578	3.181	50	40	JGGB	
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc12	13142555	STHAOGGZFKANSL-UHFFFAOYSA-N	468.462	3.058	50	40	JGGB	biogenic
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1OC	15225358	DVKGTJBMFNYKKJ-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2)cc1	16691905	DFFRFKQWEPASOS-PCLIKHOPSA-N	481.530	3.129	50	40	JGGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	20207387	VKJMPVBCXOKBPB-PCLIKHOPSA-N	451.548	3.490	50	40	JGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1	108184825	DWNSIJUIPMFCAM-MTJSOVHGSA-N	455.452	3.318	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	408788802	HMVIPGKPUIQNOU-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2C)cc1	408870531	GEFZJOLIXXQUIF-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)cc1C	409162646	GOMZCDJKLVIZCK-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409246339	BGIJZDUQFWIWPH-WQRHYEAKSA-N	450.451	3.403	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1	9015649	IRIYUDFSFZKHCA-BHGWPJFGSA-N	497.972	3.008	50	40	JGGB	
COc1ccccc1NCC(=O)N/N=C\c1cc(Br)cc(Br)c1O	9908346	VBWGKGXINGPDKC-ZBKNUEDVSA-N	457.122	3.488	50	40	JGGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccc(O)cc1O	22797802	MUTZDQVHBZCYEX-VFCFBJKWSA-N	458.562	3.345	50	40	JGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1	108995630	BSWNTLWRCIRZQW-QFEZKATASA-N	450.426	3.444	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1	408923894	HVRFDAQAEIMANJ-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)N1CCOCC1	409014804	KJCCFAINIHHYLO-DHRITJCHSA-N	480.348	3.394	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1ccccc1Cl	409157269	PNDDGSIEWDXROM-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cccc(C(F)(F)F)c1	409255269	ZPFDBDXALDTVEW-NSKAYECMSA-N	482.846	3.105	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3C)cc2)cc1	9846982	FVNNFMADQFIUIH-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)cc(I)c1O	9972319	XDWQPPBACVZJMW-UFFVCSGVSA-N	453.280	3.266	50	40	JGGB	
O=C(NNC(=O)C1CCCC1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	12548587	AGINROAAIZSYNZ-UHFFFAOYSA-N	466.357	3.201	50	40	JGGB	
COc1cc(C)c(/C=N\NC(=O)COc2ccccc2I)cc1OC	408548895	MZXWVHCYCAWVLR-JMIUGGIZSA-N	454.264	3.146	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(C)cc2)c1	408770686	AKKUFKYCMMZFKG-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(Br)cc2)cc1	408863800	UKXKHRHWWGKUHG-ZVHZXABRSA-N	487.379	3.498	50	40	JGGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1C	408871238	WMSFFKVJHBINHO-JHXRPTDYSA-N	458.971	3.444	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1OC	408971358	ITEBWARBWGAFFA-LQKURTRISA-N	462.550	3.229	50	40	JGGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	1424587	KPGCXUGXLJDKIU-JOCHJYFZSA-N	462.307	3.255	50	40	JGGB	
CN(Cc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N)C1CCCCC1	2450221	VUDWIBUHTOHZOT-YSURURNPSA-N	492.371	3.068	50	40	JGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)cs3)[C@H]2C1	8442027	AEDGXHAOMIKQCW-HOCLYGCPSA-N	458.341	3.392	50	40	JGGB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1C	32810998	ODHZDGUPNSVUEM-UHFFFAOYSA-N	464.500	3.026	50	40	JGGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@H]3c3ccccc3)c2)cc1	36040348	AORJSSQLZULXBU-VGFWHIJQSA-N	483.524	3.294	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1	408616054	VFMAGYATEGTCQN-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408685628	PNOBDQPCYSTINY-JMCDZUJHSA-N	499.317	3.147	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1O	408726852	VXDIOTBNDVOPCQ-WZUFQYTHSA-N	465.203	3.459	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c1C	408911813	OKYUKYUDIPRSKF-YDZHTSKRSA-N	470.507	3.388	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409267346	UALMONMTLKCUPT-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
Cn1nc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c2ccccc2c1=O	3423516	BGAFGZIPLHLYCY-UHFFFAOYSA-N	462.893	3.241	50	40	JGGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	9633099	HJYPXTYOVJQONP-UHFFFAOYSA-N	490.006	3.372	50	40	JGGB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccccc3C(F)(F)F)cc2)C[C@@H](C)O1	14907303	KMEYFJMGUPNVNY-ZIAGYGMSSA-N	457.474	3.260	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc(Br)ccc1O	58900523	YBCFVHWCVJFHSO-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	100959318	RBKMKDGXLLBYQG-XLKWYTADSA-N	480.517	3.184	50	40	JGGB	
COc1ccc(-n2nc(-c3nnc(-c4ccccc4)o3)c3cc4c(c(N)c3c2=O)C(=O)OC4=O)cc1	104499971	XNWFTKVJLAQEIX-UHFFFAOYSA-N	481.424	3.004	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1	408668569	UXQXRGWBDPEKBI-UHFFFAOYSA-N	496.745	3.216	50	40	JGGB	
O=C(COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1)c1ccccc1	408687519	UNCFYMWWEADKKV-VJQWSGFBSA-N	498.329	3.236	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC)c(OCC)c2)S(C)(=O)=O)cc1	408905916	AYKCVFVUYNVSSP-FLVDCRJSSA-N	477.583	3.188	50	40	JGGB	
C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)N(c1ccccc1)S(C)(=O)=O	408905970	BNFKBYIMEXXBFR-OAKZWBAKSA-N	496.545	3.479	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1	409173792	KGHZHGTXDOZHJV-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	409273098	VIZDYFRJGAPXTL-JFLMPSFJSA-N	478.480	3.331	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(CNc3ccc(Br)cc3)n2C)c1	673525	AYSKLWGOFUMFDA-FOKLQQMPSA-N	489.399	3.441	50	40	JGGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1	2203240	CBVSYGZFDDIDIO-FOWTUZBSSA-N	452.565	3.311	50	40	JGGB	
O=C(CSc1cccc2cccnc12)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	9996256	HEUYAYUNMKNQFX-UHFFFAOYSA-N	466.538	3.166	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1	15018700	LPYIYUTZIIUCMF-WYMPLXKRSA-N	452.338	3.363	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	19951427	UFUQREBYACDNAQ-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20059849	MQXKJYLCIWPPGX-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(Cl)c(Cl)c1	25783488	SFRYDRRKEKZNMV-AUEPDCJTSA-N	457.281	3.360	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1O	36383741	KOELPKSWMIZYTC-ZKAWIHBPSA-N	497.508	3.234	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl	408612954	XQUQRKYHXSJFQS-OUPCILMJSA-N	480.348	3.326	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1	408754250	JMIFYVXGAZZBHE-RGVLZGJSSA-N	494.279	3.482	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1	409329065	CHHLDIUBDTYXFT-IBGZPJMESA-N	472.611	3.008	50	40	JGGB	
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)NNC(=O)Cc1ccccc1	870420	RLEIAQGSBZOWQY-UHFFFAOYSA-N	457.559	3.340	50	40	JGGB	
O=C(Cc1ccc(Cl)cc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	2211376	RXQQISARKZTXAH-OLFWJLLRSA-N	460.921	3.066	50	40	JGGB	
O=C(O)COc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	3274492	ONCTYOSVZJYSGN-ZMOGYAJESA-N	487.921	3.368	50	40	JGGB	
COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc(OC)c1OC	9187561	AWBIMPRRGPQNMH-QOCHGBHMSA-N	474.517	3.196	50	40	JGGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1OCc1ccc(F)cc1	9285862	RPRAPTOMNQFTFH-UHFFFAOYSA-N	494.479	3.224	50	40	JGGB	
Cc1ccc(C(=O)NN2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	9591525	CQTCDIXTMYKLJS-PKOBYXMFSA-N	460.889	3.051	50	40	JGGB	
CN(NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1)c1ccccc1	9669386	VDHVULRIXHQHSZ-HXUWFJFHSA-N	465.579	3.280	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	19956130	LQYBBHABQRNDRF-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
CCOC(=O)C1CCN(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)CC1	21815760	ZGZDPWNQQVUEOU-HYARGMPZSA-N	457.571	3.403	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1	58924899	BGTQQZWAPDZZCQ-YZSQISJMSA-N	495.557	3.202	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1ccccc1Cl	408608360	PFGAQRWJVPAERB-XODNFHPESA-N	495.919	3.423	50	40	JGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	408906459	BPYOTFVYVVGMLE-SVZNOHIVSA-N	463.288	3.165	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(N)=O	409225661	QTWVZMRKYWMHCR-VIZOYTHASA-N	458.312	3.484	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1	409261470	CGUFHIGUJAOVQB-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)CC1	4048221	CCCIACWZYFTZNZ-TURZUDJPSA-N	472.545	3.073	50	40	JGGB	
CC(=O)O[C@H](CC1CC(=O)N(CN(CCCl)CCCl)C(=O)C1)[C@@H]1C[C@@H](C)C[C@H](C)C1=O	4758083	WWVPKXABFDVWMX-STEAMIEHSA-N	477.429	3.062	50	40	JGGB	
Cc1ccccc1NC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	9980836	SJLBLDUDKISHAB-UHFFFAOYSA-N	466.588	3.378	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1	100959315	GHKPOJAEJLOAEJ-MRUVXERFSA-N	480.517	3.184	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	103212285	HAHWMQFIDWVHBU-PTLGUIRRSA-N	453.580	3.055	50	40	JGGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)NNC(=O)c1ccc(Cl)cc1	408645290	KVYBFWKYHRMJBI-LBPRGKRZSA-N	484.723	3.004	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1	408775821	VBKMMJQLVMLALZ-OEAKJJBVSA-N	450.992	3.411	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1	409262377	HESNFABPYHYSPT-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(Br)c1	3081101	VQYPEWKKYARVTJ-UFFVCSGVSA-N	453.289	3.013	50	40	JGGB	
CN(NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1)c1cn[nH]c(=O)c1Cl	8651797	DVEWTAYXRIPZNQ-WJDWOHSUSA-N	458.305	3.015	50	40	JGGB	
O=C(NNC(=O)c1cccs1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1	13134421	ZPZKOLPNLGUNOE-UHFFFAOYSA-N	453.904	3.416	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1O	15229952	YZAGLIRBVJHLAM-HUXSYLCKSA-N	467.547	3.269	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OCC	20212038	ZMHRMMRFUOECCR-ZVHZXABRSA-N	495.985	3.228	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cccc2ccccc12	20214969	LCWKTTYWADMOAY-ZMOGYAJESA-N	469.588	3.250	50	40	JGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1	25258058	WBXCYDZRDCPNDG-QGZVFWFLSA-N	461.360	3.307	50	40	JGGB	
CC(C)(CNC(=S)Nc1ccc(N=C=S)cc1)NC[C@H](O)COc1cccc2c1CCC(=O)N2	39183955	PWUNHJNWACAPMM-SFHVURJKSA-N	499.662	3.400	50	40	JGGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1OC	40486400	OURACXHQSBRIMW-SFTDATJTSA-N	483.521	3.334	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccccc1	58881168	SVPZXJPLODICIU-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccccc1Cl	408732464	VGVBGBDKRSPLPU-KEBDBYFISA-N	459.875	3.437	50	40	JGGB	
CCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409026181	IHKCSRIABMOEBX-UHFFFAOYSA-N	475.567	3.344	50	40	JGGB	
Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1	409160395	WTSXDRBWAZHDQK-BHGWPJFGSA-N	489.370	3.058	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N/N=C/c3ccc(Br)s3)C2)cc1	9144629	PVKVBPWSQHHSFL-HXJASHHUSA-N	470.414	3.370	50	40	JGGB	
CCOCc1c(C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)oc2ccccc12	11243066	ONAVYTBHXFHTMG-UHFFFAOYSA-N	460.870	3.249	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1	16228340	VZLKYWHMZCNBNI-XIEYBQDHSA-N	451.548	3.079	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)ccc1O	19947883	MBVMDPDEFQNDMK-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
N#Cc1ccc(N2CCC(C(=O)NNC(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2)nc1	32879868	DGFQFRFLQQHWJL-UHFFFAOYSA-N	477.528	3.241	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408790559	SKHGFMNKXIJVFH-ATVHPVEESA-N	470.323	3.168	50	40	JGGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cc(Br)ccc3OC)CC2)cc1	409006490	OEWBFVQXSXCTMD-ZVHZXABRSA-N	474.355	3.469	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1	409170630	VZEVLPNOLUYHRT-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)cc(OC)c2O)ccc1I	1091145	QDCPTOBIBPEHKZ-UFWORHAWSA-N	460.655	3.431	50	40	JGGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)/C(C#N)=C\c3ccccc3)c2)c(C)c1	5941756	VEZBICCAONUNAK-STZFKDTASA-N	474.542	3.472	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(C)c1	13573673	BYUKUXNPCNZCLI-AFUMVMLFSA-N	465.531	3.378	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)c(C)c1	409157581	VJWGEVWQFPVUBZ-OCSSWDANSA-N	486.572	3.438	50	40	JGGB	
Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC(C)C	409158573	YJRYHKSNFZAHKV-BHGWPJFGSA-N	489.370	3.058	50	40	JGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1	409170224	TVLDEEHWEKMZGX-AUEPDCJTSA-N	495.761	3.095	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1OC	409390379	CTAOXKYLPQQEJI-KEBDBYFISA-N	470.263	3.177	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c(I)c1)C(O)(c1ccccc1)c1ccccc1	1083291	NRGCGLUWEDDOJP-OEAKJJBVSA-N	472.282	3.383	50	40	JGGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nnc2-c2ccncc2)cc1	2709531	AYKALFFBJKZBGT-DHRITJCHSA-N	460.519	3.291	50	40	JGGB	
O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NNC(=O)c1ccc(Br)cc1	3341412	RMEJVJDVYHIHTF-UHFFFAOYSA-N	468.307	3.104	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	6906900	FDFLHMFRGAUQNQ-ZMOGYAJESA-N	464.434	3.090	50	40	JGGB	
C[C@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NNC(=O)c3ccccc3F)n2Cc2ccco2)C1	12699332	BIVNHVOPZGSKAN-IYBDPMFKSA-N	486.573	3.094	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1Cl	20213169	ZTILXVNYSGUOSF-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409189332	JHWOSJUOWUMRQZ-ZVBGSRNCSA-N	455.692	3.427	50	40	JGGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	654871	NKKXXQBVTCDMGE-FSJBWODESA-N	471.926	3.132	50	40	JGGB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NNC(=O)Cc1ccccc1	924822	UEACEJQOJQBITL-HXUWFJFHSA-N	450.564	3.211	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccco1	1436337	NIYCJMFWNKBZGZ-FSJBWODESA-N	453.407	3.253	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O	1780782	GKSYNZXUJROREQ-DEDYPNTBSA-N	495.491	3.120	50	40	JGGB	
CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](CC(C)C)NC(C)=O	4707748	SWXCQOFAVJKBPJ-NHCUHLMSSA-N	488.456	3.112	50	40	JGGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1OC	8437737	ZLVPVAXPBZPXRR-QRQIAZFYSA-N	462.550	3.310	50	40	JGGB	
CN(NC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1)c1cnnc(O)c1Cl	8665084	VRYSHRDIICRCAJ-WJDWOHSUSA-N	458.305	3.428	50	40	JGGB	
Cn1/c(=N/NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2ccccc21	12599736	RMSOEISBYDMKIJ-TZZGGZJJSA-N	456.527	3.079	50	40	JGGB	
CCCn1nc(C(=O)NNC(=O)COc2ccc3oc4c(c3c2)CCCC4)c2ccccc2c1=O	12972814	QKIYIVJZETUUPV-UHFFFAOYSA-N	474.517	3.272	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1	409160546	REEZCRCIRXLFSF-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1	409161436	XFJLWJPSHCZMFF-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCC(=O)N(C)CCc1cc2c(c(OC)c1/C=N/NC(=O)c1ccc(Br)cc1)OCO2	2390487	IEVHODFYIVWABZ-WYMPLXKRSA-N	490.354	3.361	50	40	JGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1)c1ccccc1	16158227	QHONDXDRMFLDDW-PCLIKHOPSA-N	465.531	3.188	50	40	JGGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c(C)c(C#N)c2=O)cc1	30834266	IUQUGBYHLLLTQU-GATIEOLUSA-N	456.289	3.492	50	40	JGGB	
O=C1C(NNC(=O)c2cccc(O)c2)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C2=C1CC=CC2	101181473	KRPBYGJJMXWFAD-OOAXWGSJSA-N	483.933	3.223	50	40	JGGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	107726893	IAQPDKBHGPIABT-JJFYIABZSA-N	494.298	3.001	50	40	JGGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1Br	408579772	OWANPXFRLMENQM-NSHDSACASA-N	481.144	3.026	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl	408643865	CNCNFBJJILSODQ-UHFFFAOYSA-N	482.320	3.115	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc2ccccc2c1	408744084	YPSAEKOZTHAGCB-AMAFCZHPSA-N	495.358	3.382	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	408865214	CACSGPFTUDPYCH-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2	409024540	DFBJGBCKIRRCRY-ZMOGYAJESA-N	471.922	3.414	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1	409029354	ZYZQKIGYNUVYFD-KGENOOAVSA-N	452.374	3.318	50	40	JGGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1	409172311	CBZHJXPTBDNCFO-BRJLIKDPSA-N	450.451	3.117	50	40	JGGB	
O=C=Nc1c(I)cc(I)cc1I	4567097	HPQRAXQAJDYKDY-UHFFFAOYSA-N	496.811	3.468	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)c1	9329202	YMKWJGDFAJVZJG-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C\C=N\NC(=O)COc1ccc(Cl)cc1C	12350001	MLJNIPRHIBNQGO-GNIJEABVSA-N	451.310	3.272	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1O	14166409	PNCDPIDSGXOSJB-BUVRLJJBSA-N	498.517	3.045	50	40	JGGB	
Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccccc1I)C(=O)N2	17784106	OCEOEJNOGANLCH-UHFFFAOYSA-N	484.091	3.448	50	40	JGGB	
Cc1cc(C(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)[nH]n1	18240596	VLHSQKZEARYQQE-AYSLTRBKSA-N	480.942	3.475	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19926396	XCQDOYRQWFTJJG-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20060088	HHLAOWFCEJYQIU-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O	20211998	OCPJMNITFYEFRL-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
CSc1nc2nc(C)c(CC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)c(C)n2n1	22698897	OWBVTLUPKLUHAE-UHFFFAOYSA-N	470.555	3.334	50	40	JGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1F	408883983	VLVJICCDRWOWES-AWNIVKPZSA-N	452.223	3.410	50	40	JGGB	
C[C@H](NC(=O)COc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409165363	XDRXQTKHAUYAON-DSKMXOTJSA-N	469.881	3.332	50	40	JGGB	
COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	409205085	LCXDKDIAMZUUOO-SSUIOBEFSA-N	452.507	3.364	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1	409263954	JQGYTIDRIHKZOT-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)c(Cl)nc2c1	20207976	GCSFFDKYPBOBQJ-FSJBWODESA-N	460.943	3.122	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	20461322	RJIBKLGRRZOHBV-LFVJCYFKSA-N	453.520	3.137	50	40	JGGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccccc4)CC3=O)cc2)cc1	408652355	CIZRBKVNGBRPHH-FQEVSTJZSA-N	487.512	3.145	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC)c(OCC)c2)S(C)(=O)=O)cc1	408905918	AYKCVFVUYNVSSP-MXJLDLDKSA-N	477.583	3.188	50	40	JGGB	
N#C/C(=C\c1cc(Br)c(OCC(N)=O)c(Br)c1)C(=O)Nc1ccc(O)cc1	409223571	IMLBGSVXNKYQBF-VZUCSPMQSA-N	495.127	3.327	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1	409268179	RDGVCESSMWDCAR-SVLFYUKMSA-N	464.444	3.088	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1OC	409311900	COIYTDFSDBCQCT-JJFYIABZSA-N	465.300	3.474	50	40	JGGB	
CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1	2392058	ASBHZSLXCWRHMX-WYMPLXKRSA-N	462.539	3.412	50	40	JGGB	
O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	2621784	RWKSBPCBZNVANV-UHFFFAOYSA-N	497.916	3.322	50	40	JGGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1	8688065	KMLXHMAYCCRLRY-UKCKPQGZSA-N	489.620	3.411	50	40	JGGB	
Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc2c1	9381883	PZOSAFQAHVHONE-HZPDHXFCSA-N	474.608	3.468	50	40	JGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2	13010264	LIBNDWXOLXERCZ-SFHVURJKSA-N	459.930	3.108	50	40	JGGB	
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)C(C#N)=C3Nc4ccccc4N3)CC2)cc1	13039812	MODSYFMKYLXWBZ-SFHVURJKSA-N	479.606	3.348	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)COCc2nc3ccccc3s2)c2ccccc2c1=O	17398008	KVOJGBYMHLFYAU-UHFFFAOYSA-N	479.562	3.174	50	40	JGGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19949731	VOABLIYKSLZRGM-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc([N+](=O)[O-])c1O	30902129	PHXIFNGNDCOTJQ-ZBKNUEDVSA-N	452.261	3.217	50	40	JGGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)N(C)C)C3)cc2)ccc1Cl	32913620	NHQZORKTUNGKHM-IBGZPJMESA-N	472.973	3.382	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1Cl	408790621	SXPPKAIVZQSMID-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)cc1	409162878	IYOOZVZRUFQQNX-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1	409167666	JNIJTDGQNQTYHS-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccccc2O)C1=O)=C\c1ccccc1	8820654	KORNWFCEMZBQJK-UJUKKVGJSA-N	453.545	3.001	50	40	JGGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	9140102	XKOYODQNQUIZEF-UHFFFAOYSA-N	499.346	3.336	50	40	JGGB	
O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1	11708662	NFKJVBJMQOZXAC-UHFFFAOYSA-N	458.396	3.462	50	40	JGGB	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	12851517	ZKPWNBRCIZQTAF-GFCCVEGCSA-N	460.886	3.182	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1	20061079	XOOGZNZJHMPEHM-UHFFFAOYSA-N	498.948	3.017	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1	58919277	LZLIYMMSXZURJB-WGOQTCKBSA-N	495.557	3.120	50	40	JGGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)Nc1ccccc1	408657157	GKGDXVRFDYUWDH-VJQWSGFBSA-N	487.339	3.452	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1cccc(Br)c1	408778536	GWMWNTJTJGOMOB-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccccc2OC)cc1	409027352	CSNRZFJEHKNZHP-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)c1	409170170	SRZLHMNQTNAZBO-OCSSWDANSA-N	486.572	3.438	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1	409249987	KSKXDXPVQUOIOU-DSKMXOTJSA-N	474.945	3.039	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1cccs1	13787821	TYFJZXDEDUESFG-UFFVCSGVSA-N	474.959	3.394	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2C)cc1	20060006	PVNPHVMXBUNJSK-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	20214139	SDHOOXVWQJNOMF-FYJGNVAPSA-N	468.373	3.154	50	40	JGGB	
CCOC(=O)c1c(NC(=O)CNNC(=O)COc2ccc(Cl)cc2C)sc(CC)c1C	21548896	LEAWUMWWNOCKRY-UHFFFAOYSA-N	467.975	3.396	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409175406	RGTANHVLVZAEFF-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1OC	1086963	RMMVEZQFGSDLTQ-LSHDLFTRSA-N	488.298	3.383	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)cc(OC)c1OCc1ccccc1	16271359	DINURZZETGLVRR-UHFFFAOYSA-N	488.338	3.459	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2cc(C)ccc2C)cc1	408772224	FJXLRJKYUGUSIS-UHFFFAOYSA-N	476.558	3.280	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OC)c1OC	408969103	HJEQNKNKULGHQN-YMSFFTPVSA-N	471.554	3.081	50	40	JGGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1C	409150424	BVDWEWPKTUGJOG-BHGWPJFGSA-N	489.370	3.058	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)c1	409160714	YYZKPPJUJDGBQD-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(=O)[C@H](Cl)[C@@H]3c3ccc(OC)cc3)cc21	1084153	PPDZCJUEYODALN-MOPGFXCFSA-N	459.861	3.385	50	40	JGGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)c2)cc(OC)c1OC	3142648	RBHXHMIDTNDQOS-VXYCCBPDSA-N	492.484	3.222	50	40	JGGB	
CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2cc(Br)ccc21	13774703	MECYGOJZWYAIHV-PGMHBOJBSA-N	480.160	3.211	50	40	JGGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)NNC(=O)c1ccc(Cl)cc1	408645287	KVYBFWKYHRMJBI-GFCCVEGCSA-N	484.723	3.004	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cc(Br)ccc1O	409149606	KYKVVKUNAWRTQZ-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
Cc1ccc(S(=O)(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1	1003646	FZOFPRCUKMDSER-UHFFFAOYSA-N	492.189	3.217	50	40	JGGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	8396682	KGLYKSPUUDOQSC-WSDLNYQXSA-N	479.361	3.394	50	40	JGGB	
COc1cc(Br)c(Br)c(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O	13563853	PUUWRIOMFDHTKR-IYBLZUMKSA-N	486.116	3.216	50	40	JGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OCCN1CCOCC1	19852634	ACAYRBMWXKLMJN-QHCPKHFHSA-N	487.560	3.405	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20060147	YRVQOAFJTTZGKF-WGOQTCKBSA-N	495.557	3.438	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	20209159	LUPDEEIZAOKNQA-SRZZPIQSSA-N	452.920	3.288	50	40	JGGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	33795311	KYLOQURPPLXDTG-XGICHPGQSA-N	463.324	3.431	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1cccc([N+](=O)[O-])c1	59105144	RRQFGYXIOGBOQH-GIDUJCDVSA-N	464.013	3.319	50	40	JGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	59427792	GZJCNKVPDQXKOP-DHRITJCHSA-N	460.446	3.230	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(C)(=O)=O	408780946	OBUORHGFPFXZIS-KGENOOAVSA-N	468.373	3.073	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	408907495	PGWNZRDHOSOGFI-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O	408982449	XXHAVZJUXAWLPJ-KWXFCVSUSA-N	462.462	3.321	50	40	JGGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2186503	PLIHRJZZFIGQBF-WSDLNYQXSA-N	450.363	3.192	50	40	JGGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)NCc1ccc(Cl)cc1	9059250	JRVKJJOILMVFGQ-PSXBWXLBSA-N	453.926	3.237	50	40	JGGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1	14894410	JXHBKSAOERWCQF-PRGMJXOMSA-N	485.625	3.357	50	40	JGGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1Cl	33691714	AUBKZBOZKIREHF-XKZIYDEJSA-N	456.351	3.168	50	40	JGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1	58918203	NZGFZLIAGMGTRT-WGOQTCKBSA-N	479.558	3.420	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2F)cc1	59443719	MTVREBAFGAQGAL-WPWMEQJKSA-N	496.564	3.168	50	40	JGGB	
CC(=NNC(=O)CNc1ccc(I)c(C)c1)c1ccc([N+](=O)[O-])cc1	254628436	CPUGYFIDQXYUCJ-UHFFFAOYSA-N	452.252	3.460	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1	409158829	YARHCWRMTOTLEY-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccccc1C(F)(F)F	409167607	IVIBUKZBRWDJCX-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCCOC(C)C	409263744	MJURFANSSRYBJJ-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
O=C(COc1ccccc1)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	989518	RLKPCOFGSWZGJH-UHFFFAOYSA-N	453.090	3.063	50	40	JGGB	
CC(C)c1c(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N	1873921	QZBXJZDVTITCIR-OPEKNORGSA-N	468.562	3.420	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2I)cc1	2747617	HHPWAQNZRRABAN-FYJGNVAPSA-N	464.307	3.226	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1	3115539	NNHAJNZZNPXYCY-RWPZCVJISA-N	463.465	3.324	50	40	JGGB	
Cc1c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)c(=O)n(-c2ccccc2)n1C	9087938	MIBRHCDNEYTWIC-SFHVURJKSA-N	491.548	3.334	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(F)cccc3[nH]2)c1	12605765	DMIDTZGUZZDIGW-UHFFFAOYSA-N	482.493	3.191	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1	13677323	BMXMBAWTAZIUJK-PCLIKHOPSA-N	467.547	3.445	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)C[C@](O)(c2ccccc2)C(F)(F)F)c2ccccc2c1=O	14241827	NDHCRTGILDHTJW-QHCPKHFHSA-N	490.482	3.188	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(C)(=O)=O	20212740	RFXYROGNNPMIFV-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C\C=C/c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33499011	LOLLBPPCWUFRJZ-ITCBDWQCSA-N	451.486	3.210	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(C)c2)cc1OC	35375428	PKCVZKDSRCSBSX-OVVQPSECSA-N	495.601	3.396	50	40	JGGB	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C	98004464	KFXNCDSZUZGALG-DEDYPNTBSA-N	490.589	3.064	50	40	JGGB	
N#CC1=C(SC[C@H](I)CI)N2CCC[C@H]2N=C1	100710139	OBZXHUYALZOGJW-ZJUUUORDSA-N	473.121	3.200	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1	408924468	JBFAWPSOZNHAJE-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1	408925575	UYDCGYYMIQGZPS-OEAKJJBVSA-N	485.474	3.144	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	409014062	OSAPMCMZMINJMP-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1	409162508	FQPWQJLNGCNGCU-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2O)cc(OC)c1OC	993607	UPBUZNOAWMZSKS-AFUMVMLFSA-N	450.447	3.401	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1	2398162	ZOVSDQMTYUELTB-ZVHZXABRSA-N	456.568	3.349	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12	2663529	QUKPKRRQWQHPFB-MTDXEUNCSA-N	467.529	3.045	50	40	JGGB	
COc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(OC)c1	6166314	TVNPYTGOUYVZKT-MBPZFATISA-N	454.552	3.311	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	8452620	NWHKSTOJGRJBQN-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)NNC(=O)c2cccs2)cc1	11682640	CAHRDAUXTFXPFD-UHFFFAOYSA-N	483.571	3.405	50	40	JGGB	
Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1	13957658	GOIWHYWGCSBBKT-VWLOTQADSA-N	488.569	3.421	50	40	JGGB	
O=C(CC12CC3CC(C1)CC(CC(=O)NNC(=O)c1ccccc1)(C3)C2)NNC(=O)c1ccccc1	105843164	VHTPXWGRCOBDBG-UHFFFAOYSA-N	488.588	3.276	50	40	JGGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@]3(C=C[C@@]4([C@H]5C(=O)OC(=O)[C@@H]53)[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@@H]3O[C@]342)C1	118936225	IGFBSNDEYYBSQG-VYXJFARZSA-N	468.546	3.143	50	40	JGGB	
O=C(COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1)c1ccccc1	408687515	UNCFYMWWEADKKV-JXYJOFSCSA-N	498.329	3.236	50	40	JGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1	408711722	HPRLFTZZNOCZOD-MTJSOVHGSA-N	468.291	3.400	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(C)cc1	408877833	YTUSCGMQOOREFZ-MFKUBSTISA-N	452.536	3.053	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccccc2)cc1OC	409130276	HAUQSIKNJXBHLZ-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c1	409158699	YGQJSCKUSZFZOL-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1	409255431	KJEPRAJENPMBQQ-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409263512	LJWTUFBJKVGROM-UVHMKAGCSA-N	482.443	3.080	50	40	JGGB	
O=C1Nc2ccc(F)cc2/C1=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	2636801	YGEGLGGELMQRIG-UHFFFAOYSA-N	472.885	3.366	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Cl)ccc2O)c1C#N	9367638	JKOZPZJLJGQMKH-QPJQQBGISA-N	467.707	3.059	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc(Cl)c1OC	14805564	JIUJYTLLFJXILQ-UHFFFAOYSA-N	495.966	3.294	50	40	JGGB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)c(OC)c(OC)c1	103918369	JIJIDUPUTPBWSL-STZFKDTASA-N	497.508	3.332	50	40	JGGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408612345	VBXQNJHZJZPQLK-LHSRNITLSA-N	450.322	3.318	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1	408612705	XFLQNOOXMKUFRF-NPSPNJCMSA-N	459.930	3.063	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2OCC#N)c2ccccc2)cc1	409002261	MTNFJOUXRIACLC-MORQCWLFSA-N	476.558	3.457	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	409054457	AEOKHGYZZZPGQJ-CVKSISIWSA-N	469.538	3.484	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	409116143	UCWWHPJGXUDZBT-HZHRSRAPSA-N	452.492	3.492	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cccc(Cl)c2)cc1	409118035	PUXKWWPRSHTYMQ-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	409126605	LNHOONOXALQCLR-YZSQISJMSA-N	464.547	3.489	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409159140	YZMSFRSPZBSTDT-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)ccc21	3419588	ITPVYGVRMCTVBK-IAGOWNOFSA-N	497.621	3.106	50	40	JGGB	
O=C(CSc1ccccc1C(=O)NNC(=O)c1cccs1)Nc1ccc2c(c1)OCO2	8944104	ULBGPCRGFPVXKC-UHFFFAOYSA-N	455.517	3.282	50	40	JGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1	15903647	NTNVCZBMSOOQFS-UHFFFAOYSA-N	483.977	3.470	50	40	JGGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cc([N+](=O)[O-])ccc1O	16385689	JRPUCTWDXFFIBZ-FMQZQXMHSA-N	459.050	3.295	50	40	JGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1	28617543	MNQYVAAWXPBLLE-OYKKKHCWSA-N	457.939	3.387	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCC(=O)O	96577042	PUKQWNUMSLYFTE-CXUHLZMHSA-N	459.296	3.187	50	40	JGGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408681705	IGWRRSLECILBFI-YBISVOHQSA-N	459.695	3.120	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1	409019692	KFFAPCBJWJECKY-YUMHPJSZSA-N	476.533	3.308	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)cc(Cl)c1	2176115	OUWMNSBXPUJWTD-DNTJNYDQSA-N	479.729	3.471	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1OC	2176236	KFUNCOFJALRCER-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](CC(C)C)NC(C)=O	4707750	SWXCQOFAVJKBPJ-LEWJYISDSA-N	488.456	3.112	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1	8782273	RYAYBSUMNXATIU-UHFFFAOYSA-N	483.575	3.286	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1F	59247030	OIBJLRKWINFJDG-MXAYSNPKSA-N	494.361	3.348	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c(C)c1	408776308	YKELJYJQHZWFES-WGOQTCKBSA-N	479.558	3.439	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OCC)c1	409164896	PHBKMALVSOQXFU-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-]	409165885	BKHPXURTDCLVST-OPEKNORGSA-N	470.869	3.462	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)ccc1OC	409312505	LVHZYDNMWRJKJY-KSEXSDGBSA-N	495.326	3.482	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)COCC(=O)NC2CCCCCCCCCCC2)ccc1[N+](=O)[O-]	9851571	QBGHDCGLIUUCOU-UHFFFAOYSA-N	476.574	3.470	50	40	JGGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccc(Br)cc31)C(C#N)=C(N)O2	9972400	PMCJOBOJDHJROE-JOCHJYFZSA-N	462.307	3.400	50	40	JGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc12	12412704	OBWODKLMNIJPBW-RUZDIDTESA-N	492.919	3.124	50	40	JGGB	
COc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1	12584952	YPDUMJRDBMWYIJ-GOSISDBHSA-N	490.512	3.123	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)C2)s1	12797153	XSNGFOIBKGUNSH-ZFWWWQNUSA-N	481.665	3.105	50	40	JGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC	408798587	WCUUVTNAXPWSMR-LDADJPATSA-N	452.463	3.359	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c2ccccc2)cc1	408923985	IVQYEESAILUFPY-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)c(C#N)c2=O)cc1	409074636	WCHKBGCKBNIIPZ-MSXFZWOLSA-N	450.296	3.247	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	409163117	MBGWCBBYPOCDHR-XODNFHPESA-N	494.470	3.098	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1	409260567	SEHMMMWOUQDVSB-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc([N+](=O)[O-])cc3)NC(=O)[C@H]2C(=O)OC)cc1	409328073	YRSAZVDCMIPHDB-MOPGFXCFSA-N	481.486	3.053	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1	1088970	CCCMLOACOHSQDI-SRZZPIQSSA-N	458.272	3.375	50	40	JGGB	
CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)N[P@@]1(=O)NCCCO1	4707326	ALDGFHDGYHJBJS-JYRCXFKTSA-N	452.319	3.152	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2)cc(/C=N/NC(=O)COc2ccccc2)c1O	6073548	SKGIKVDJNFEJDJ-LPHFKDDMSA-N	486.528	3.179	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(O)cc1	8820460	VOMPEBQFTKSWEF-DFBITEFZSA-N	453.545	3.001	50	40	JGGB	
Cc1ccsc1C(=O)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	14084530	JWNUXWPKOLMFQF-UHFFFAOYSA-N	477.995	3.362	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1O	19948300	HXPQMOPTBPHMAY-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20208864	KZVKQVHWAMYPOG-OEAKJJBVSA-N	470.507	3.334	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1	28215007	OWTSJMPEDKZUDB-SIBVSACJSA-N	461.474	3.003	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1	408770934	CMTWTDWEHHKBDD-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)c(C)c1	409162373	DGNCRCOMOWHCSI-OCSSWDANSA-N	486.572	3.438	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1	409255184	HIPPAVHIGFGPFX-FTQFDPMJSA-N	494.470	3.096	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)NCc1ccccc1	409263381	KNLLGVWNMASWRF-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)cc2)cc(OC)c1OC	725611	DDGXTXRHXXQGLX-WGLQLPMYSA-N	464.474	3.115	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC	10118624	VKIKPHIRRLRLSH-SRZZPIQSSA-N	482.274	3.006	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2OC)nnc1-c1ccc(OC)c(OC)c1	13552784	ANZFMQQZIPLOSY-YDZHTSKRSA-N	455.540	3.233	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	19948020	CJTQFAAIQMLNJD-PCLIKHOPSA-N	465.531	3.127	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(C)(=O)=O	20060990	BWYDBXHJIXVFIL-OVVQPSECSA-N	494.573	3.254	50	40	JGGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)c1	58918453	QAJYHMGUSHBELM-OEAKJJBVSA-N	473.576	3.419	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1	107882345	JRLAYUBOXMLADU-QFEZKATASA-N	478.461	3.393	50	40	JGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1	408764878	UAPOCGYXVGQPTH-SFQUDFHCSA-N	491.363	3.291	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)ccc1O	408786573	SJKMHAYDJRAVMD-UFFVCSGVSA-N	460.339	3.014	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccccc2)cc1	408908731	YHZXYOYUDVISOI-YZSQISJMSA-N	495.557	3.202	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OCC)c1	409160719	YZQSEPRFPNICLC-JFLMPSFJSA-N	468.554	3.086	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1	409255667	IIEWDVHVMHNOLR-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)n1	8867555	OPUAZTOVKKGASV-RMKNXTFCSA-N	468.944	3.259	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1OC	12274874	KBVRRTFGNMOZOY-YVLHZVERSA-N	491.978	3.020	50	40	JGGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)NCc4ccccc4)cc3)c(C)nc2c1	58872757	JEQNUABWDSTGHB-LQKURTRISA-N	455.518	3.410	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)Cc2ccccc2)cc1	59435378	VHTFCPLNFYYOTA-PCLIKHOPSA-N	451.548	3.345	50	40	JGGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2c(c1)OCO2	408736797	ICGYWFUVQCRLQC-OIOPBYROSA-N	450.495	3.340	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OC	408864923	ANSCLPWNJOPNCS-OCKHKDLRSA-N	485.234	3.076	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1OC	409012036	INONPWBSJIHPDR-CVKSISIWSA-N	463.490	3.494	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)c1	8825479	BHEAHHSLXNTFRZ-LFVJCYFKSA-N	453.568	3.284	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N/N=C/c1cc(Br)ccc1O	9305985	GJBJBBGKSPURAK-REMUQMNCSA-N	474.355	3.067	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	59960002	MCLWFOGYEICDKT-FQNOVECQSA-N	458.518	3.340	50	40	JGGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)c(Cl)c1	408741505	MKHMTNSGJBIKQE-QFIKJYRCSA-N	469.737	3.427	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC	408766374	CSRMIHBKMJXITD-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1	409012848	IVXVVDGQRKJVGB-WMPMWDHYSA-N	453.539	3.150	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)c1	409176188	YKZFUVMNSZMYMX-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409263840	OSMDYGYYFIFSAK-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2c(c1)OCCO2)c1cccs1	3185038	GTGMHYPNLHRHOH-SODVTCOWSA-N	474.542	3.492	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1O	9355235	ZOHJAOZDEDETSA-AWQFTUOYSA-N	452.261	3.299	50	40	JGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12276136	XCYVKXZQLLBFEZ-OSPHWJPCSA-N	468.531	3.364	50	40	JGGB	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	12794874	DCOYEMWITKSEKX-RUZDIDTESA-N	479.540	3.274	50	40	JGGB	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1	15525435	HJTQGSXXCBPRKT-UHFFFAOYSA-N	473.938	3.289	50	40	JGGB	
CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1oc2ccccc2c1C	17448073	FTIGDCWQSKTLLF-LLLGYDHXSA-N	487.603	3.214	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1OC	25504274	XACRSSHODOQORW-IBGZPJMESA-N	492.370	3.072	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1	59597067	KOCDCWYHYCHRBU-SSDVNMTOSA-N	451.830	3.312	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCC(=O)OC	107777590	SPJIOEUGTPJCRE-JJFYIABZSA-N	494.298	3.001	50	40	JGGB	
COc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)c1	408689182	XTJRVLKRMPQTGF-MUJBESKKSA-N	485.334	3.457	50	40	JGGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965049	FZLCSSYCZSKBRS-DICXZTSXSA-N	476.558	3.424	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCC(=O)O	408968992	FKSRECMJPWYOIX-LSFURLLWSA-N	477.267	3.440	50	40	JGGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccc(I)c(O)c2)c1	409108580	VHTMVCMYWAHZRY-SRZZPIQSSA-N	475.242	3.250	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)Cc1ccccc1	409145297	OBXSLFAVLSJUCK-PCLIKHOPSA-N	451.548	3.178	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O	409338152	DWYCIYMJYLRIJN-UHFFFAOYSA-N	463.003	3.183	50	40	JGGB	
COc1cc(-c2n[nH]c3ccc(C=C(C#N)C(=O)NC(C)(C)CO)cc23)cc(OC)c1OC	1857775612	FCCMYBKAZCDQGX-UHFFFAOYSA-N	450.495	3.050	50	40	JGGB	
COC(=O)NN(C(=O)OC)[C@@]12CCC[C@@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2ccccc12	5551336	PRQDCKPYLYZROT-GAJHUEQPSA-N	486.481	3.497	50	40	JGGB	
O=C(NNC(=O)c1cccs1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1	9508504	WOXSSSYOUSVSKY-UHFFFAOYSA-N	480.365	3.386	50	40	JGGB	
Cc1ccc(S[C@@H](C)C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1	12746234	FODHCUQAAXOCAM-SFHVURJKSA-N	483.615	3.415	50	40	JGGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cccc(C(F)(F)F)c3)CC2)cc1	14907481	QSTDBBPBKXDWOK-UHFFFAOYSA-N	457.474	3.258	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1	19947874	OXFZLHCJYIZZEY-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	19955932	UQOIYISYZPRHDN-CVKSISIWSA-N	498.536	3.138	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1	20207915	MFODZWNVYCOPNG-PCLIKHOPSA-N	451.548	3.490	50	40	JGGB	
O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O)c1ccccc1O	101027845	GZUCLNHLIQEJMZ-DIBXZPPDSA-N	481.917	3.238	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1	408608990	ISONKURIGOMNHH-CHOFVFFHSA-N	462.344	3.402	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408612506	VRWCCBLDTCWQLZ-FOKLQQMPSA-N	450.720	3.434	50	40	JGGB	
Cc1nnc(N2C(=O)c3ccc(C(=O)O[C@H](CCl)C(=O)c4ccccc4)cc3C2=O)s1	408691218	YWNQTVGGTJVFAM-MRXNPFEDSA-N	455.879	3.294	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	408871576	HKVRPKFXKAOEFF-KOEQRZSOSA-N	487.500	3.419	50	40	JGGB	
COc1cccc2cc(C(=O)N/N=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)oc12	408960929	JONHRPAJRGZEBY-VULFUBBASA-N	460.490	3.019	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	6166394	FZQHSHHFJRXELG-GEOUZTJZSA-N	463.563	3.031	50	40	JGGB	
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)C1	8739925	BGDQKJOVXBXODM-NGYXKBBWSA-N	491.592	3.138	50	40	JGGB	
O=C(NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1Cl	9591306	YPBPFFZRPADUHH-RDTXWAMCSA-N	481.307	3.396	50	40	JGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	13097362	QDGILNNRVFNKQV-MFKUBSTISA-N	485.997	3.442	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1	408922967	DDNMEYYLGMCABS-DTVDJLOLSA-N	455.536	3.249	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1Cl	408944698	JJZKAKRJQUFZFJ-NRFANRHFSA-N	486.981	3.225	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)Nc1ccccc1	409156718	LSUTXBXGLJFBPA-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccccc1OC(=O)N1CCOCC1	13403905	BDQNZAWFZBACQN-LJQANCHMSA-N	488.460	3.034	50	40	JGGB	
CCN1C(=O)/C(=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21	16844353	MKSRQMJUQZJSQV-SZXQPVLSSA-N	457.515	3.012	50	40	JGGB	
O=C(CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cc1ccccc1	19913487	NASRUFAOLHIJHQ-UHFFFAOYSA-N	498.627	3.481	50	40	JGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1F	20059867	IMOVWXYHHPUYAR-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1	58853918	IYMHTQDINZEUJQ-AFUMVMLFSA-N	472.542	3.158	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(Cl)cc1Cl	408679278	DRCFURIIHJBWGK-IDNXRVBGSA-N	463.111	3.046	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(C)C)cc1	408765662	XBHZRTXVOJHKRD-PWYGXMRTSA-N	483.546	3.406	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccs1	409130922	IVCGTMXTPJIDQI-YDZHTSKRSA-N	475.523	3.004	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC	409141201	MPVLQSCSOMUWNN-ZVHZXABRSA-N	461.584	3.228	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1)NC[C@@H]1CCCO1	636876	ANRDMFPNLUXPFW-WSLJYYCZSA-N	480.348	3.197	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)ccc1O	6134840	YLMYUSNQERENSA-KSRKCLLLSA-N	452.511	3.326	50	40	JGGB	
CN(NC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1)c1cnnc(O)c1Cl	8665083	VRYSHRDIICRCAJ-LFIBNONCSA-N	458.305	3.428	50	40	JGGB	
CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1oc2ccccc2c1C	17448071	FTIGDCWQSKTLLF-OCKXMSAZSA-N	487.603	3.214	50	40	JGGB	
Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3cccc(Cl)c3)c2)c2c(C)nn(C)c2n1	22705083	RVIKXQJIZFEBKI-UHFFFAOYSA-N	468.974	3.115	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	408774325	ZICAOAJJBVPPGF-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408792979	MYBZOTXBNRDIAC-NTUHNPAUSA-N	461.268	3.261	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408810048	IVFQZSZZXRYFDI-PXNMLYILSA-N	489.322	3.241	50	40	JGGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409345574	MDIMFCSIWIBWPY-FBCYGCLPSA-N	472.093	3.388	50	40	JGGB	
CCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1	12864412	FMHOXFZCPBEUEJ-UHFFFAOYSA-N	481.578	3.320	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(C)(=O)=O	20060944	XYDHCOMDGIRSST-OVVQPSECSA-N	494.573	3.254	50	40	JGGB	
CN1CCC(=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1	20233145	XHWXHSGZRUIKGP-UHFFFAOYSA-N	469.394	3.387	50	40	JGGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408605371	JXMVPDFWXJXSCP-YSURURNPSA-N	486.725	3.033	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1	408611619	RCVMPPMBJYECEM-VSRRSJTHSA-N	474.945	3.121	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC#N	408794937	UEFVESRMKQOQHZ-MDWZMJQESA-N	475.242	3.453	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCC(=O)O	409229177	KUSLVUMOWHUDLV-YVNNLAQVSA-N	453.264	3.143	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1	8660827	WXAVVWPOTJXYGU-RCCKNPSSSA-N	458.521	3.392	50	40	JGGB	
CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)C2=C1CCCC2=O	12413955	GCHVHPWBQOWKQW-SANMLTNESA-N	457.509	3.103	50	40	JGGB	
O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)C1CCN(c2ccc(Cl)nn2)CC1	24756715	VMYZOFPIARZKCM-UHFFFAOYSA-N	495.967	3.152	50	40	JGGB	
CN(C)c1ccc(C(=NNC(=O)C(=O)Nc2ccccc2C(=O)O)c2ccc(N(C)C)cc2)cc1	95471925	SLPKGQDWYZFGJG-UHFFFAOYSA-N	473.533	3.024	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(NC(C)=O)c1	408639752	YODQXNBACKMNFB-UHFFFAOYSA-N	472.958	3.130	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1Cl	408921996	NMFDVEXHCPJHTB-DNTJNYDQSA-N	479.729	3.471	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCC	409031801	BIHIZTTXKKMNDM-SRZZPIQSSA-N	453.280	3.435	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1	20209226	FHVVKCLVGNBYSF-CIAFOILYSA-N	452.374	3.489	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cccc(C)c2)cc1	408768137	CGZOMFVOJSBTSU-MFKUBSTISA-N	465.531	3.347	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)cc1	408947453	NRHJBHTYJDBRQE-OAQYLSRUSA-N	486.981	3.225	50	40	JGGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc3ccccc3)o2)cccc1[N+](=O)[O-]	409160462	QAEPBTUJCYOYCT-ANDSAHIGSA-N	450.451	3.197	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1	409253115	GDAWRYUCXVKMHY-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC	409360003	CVFCRIYDGDFSJL-UUYOSTAYSA-N	498.317	3.409	50	40	JGGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3c[nH]c4ccccc34)nnn2-c2nonc2N)cc1	2452617	UHCPHQLAQSCODA-OPEKNORGSA-N	473.522	3.078	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1	2774233	PBTNMCSWKQADQW-HYARGMPZSA-N	455.448	3.135	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1O	6166416	PBQKWNLPRXQBRO-CCGDQYEQSA-N	454.552	3.398	50	40	JGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)NC(=O)COc3ccccc3)c2C)cc1	9264723	OROGSABHCNELDP-UPHQNKNSSA-N	490.560	3.305	50	40	JGGB	
C/C(=N\OCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)c1ccc(Br)cc1	15906440	ZPZAKDZPMLHULI-YSURURNPSA-N	494.143	3.425	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1C	19949283	FNIVZPZNMQJAAG-AFUMVMLFSA-N	465.531	3.378	50	40	JGGB	
CCCCCOc1ccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	36006845	RLNTYOZOYRRKJE-LGUFXXKBSA-N	486.638	3.021	50	40	JGGB	
CC(C)(NC(=O)OCc1ccccc1)C(=O)OC(=O)C(C)(C)NC(=O)OCc1ccccc1	73280390	WMDKFTLDWRRKMB-UHFFFAOYSA-N	456.495	3.466	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1	409023688	BXVOQAKGBLTORJ-MFKUBSTISA-N	465.531	3.323	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccccc1	409264837	GFRDDIXWFHMUOT-MUFRIFMGSA-N	492.507	3.008	50	40	JGGB	
O=S(=O)(CBr)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2	12180606	UNJAUAMZEHIEDJ-UHFFFAOYSA-N	463.350	3.061	50	40	JGGB	
N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@]12C(=O)Nc1c(Br)cc(F)cc12)OCO4	13591133	HFJBBWPTDYDUTG-JOCHJYFZSA-N	481.281	3.113	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1COc1ccccc1C(N)=O	15933730	WFXXEAULVULCQX-LGJNPRDNSA-N	462.462	3.354	50	40	JGGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3ccccc3)o2)c(=O)c1C#N	409005299	UOOTVTTVOZRCNZ-GATIEOLUSA-N	483.322	3.348	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1cccc(C(F)(F)F)c1	409184047	HZOVUMLAZVZJLW-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
C/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(/C)c1cccc(C#N)c1)c1cccc(C#N)c1	4758939	CBLHWPVKEUGHSD-HSDOFUDPSA-N	460.563	3.321	50	40	JGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(F)cc1	12555999	JZANOVJSVZKBNZ-AWNIVKPZSA-N	452.223	3.410	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)c(OC)c1	13638749	IWEFKFOZCPEQFN-KSWAXPHNSA-N	499.527	3.364	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC	20059662	ZESKHYPVMZMLSO-PCLIKHOPSA-N	483.546	3.412	50	40	JGGB	
CC(C)n1c(SCC(=O)NNC(=O)c2ccccc2F)nc2sc3c(c2c1=O)CCC3	22575358	QZBWQWZMDKUKDV-UHFFFAOYSA-N	460.556	3.220	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O	408770977	CYHZEJCMIUMHSV-KEBDBYFISA-N	458.765	3.327	50	40	JGGB	
CN1CCC(=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1	408841489	KUMSQAZZDANITD-UHFFFAOYSA-N	468.501	3.099	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(O)c1	408850231	IWWUAFMSFQWTEP-FBTHGLLTSA-N	479.002	3.195	50	40	JGGB	
Cc1c(C(=O)N/N=C\c2ccc(N(C)C)cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409058240	JSNZEDYYFXBLPE-QDTIIGTASA-N	468.439	3.261	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	409064361	CCQRYUTUSLUZSX-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	409157623	NDHMZDSIKTYBEB-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1	634234	VAMXNSAQFSUZDS-PMEBHBLGSA-N	451.338	3.168	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1O	1774907	AZQRWWJULWWLFG-LFIBNONCSA-N	461.952	3.098	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1	408611041	PPCAJYPPVWOEGQ-YUBWEHNGSA-N	480.348	3.326	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(OC)c1OC	408726318	LLKOZAABZJSNSL-WGOQTCKBSA-N	497.573	3.443	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408747249	LCHPZVASSOETHA-PXNMLYILSA-N	459.296	3.233	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409154024	JPQJBRBXTAKSIB-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3C)C2=O)cc1	8819579	BFCRNAQKXRYVDW-RGEXLXHISA-N	497.598	3.224	50	40	JGGB	
Cc1cc2c(c(=O)n1C)[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9743103	ZDNBCWWBWOMHEG-VWLOTQADSA-N	458.905	3.266	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	13522672	FIJSBERMFMUILT-AAXUKGKISA-N	490.560	3.330	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C	408761758	BHZBHERAKPAHKZ-OZNZCJATSA-N	482.400	3.219	50	40	JGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1	408793304	DODBPWCUXJKUHL-RIYZIHGNSA-N	459.252	3.245	50	40	JGGB	
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c1OCC	1256215	CKVWVLUTFBNHCR-IERDGZPVSA-N	451.523	3.351	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(I)c1O	3139805	FGIBTFALWWCGLU-UFWORHAWSA-N	460.655	3.188	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1	15014061	LQKBRFKLQPNZHS-AXNZHVIBSA-N	474.517	3.040	50	40	JGGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	59104761	BZBFSITYIVDNDB-DHRITJCHSA-N	493.614	3.352	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	59503050	UGFVFLUMPXRDSL-WGOQTCKBSA-N	481.574	3.499	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@H]3[C@@H]4C[C@@H]5[C@H]6[C@@H]4[C@@H]2[C@@H]([C@@H]6I)[C@H]53)c([N+](=O)[O-])c1	245283739	ONQRMRLNRDSIAF-VJNOBAJQSA-N	466.235	3.462	50	40	JGGB	
O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccccc1	408730839	JGWWOBIXEVLOPS-RGVLZGJSSA-N	491.314	3.088	50	40	JGGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408761358	IVOBBGCJMJKXEH-RIYZIHGNSA-N	465.325	3.316	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1OC	408780182	USMPULHHGNTGPE-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1OCC	408982695	YQLJVZUZINRSAM-NTRYICDMSA-N	485.537	3.355	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1OCC	409023988	GIXWCKZNSICIDI-LFVJCYFKSA-N	459.568	3.129	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccccc1	409167218	HXTYRXDGHQMCFK-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC1	409205926	REGVAPQGCCBYNH-RGVLZGJSSA-N	477.517	3.039	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1OCC	409303719	ODJZVLICWWRXJK-VROXFSQNSA-N	454.310	3.419	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1cccc(F)c1	1435283	RJNUNKGSFZLUAC-BTSCWMHGSA-N	450.422	3.344	50	40	JGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1	6163272	ICTGWORTOPVUDQ-XDJHFCHBSA-N	468.506	3.138	50	40	JGGB	
COc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(OC)c1	6166315	TVNPYTGOUYVZKT-HBAACHIQSA-N	454.552	3.311	50	40	JGGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	9660225	SKDQXMCZZQPPGO-XFBJJFJZSA-N	455.580	3.053	50	40	JGGB	
COc1cccc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O	13897151	YVUNVGKJTYBKOV-SZBVQOHVSA-N	459.458	3.051	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	20059764	ORWGUKFBZFOEJZ-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1Cl	33806842	KHUXBPZMTQXMIL-NKVSQWTQSA-N	464.758	3.426	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)cc1Cl	409166241	CXMJGBLUMUBBAY-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409269221	HGTWRMLLGCETFY-NLOAGFHQSA-N	488.972	3.429	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OCC	20209637	RMERWZMPBQHVBZ-OEAKJJBVSA-N	465.959	3.220	50	40	JGGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1	21921592	QWBUUEYZLZWZNX-QGZVFWFLSA-N	472.501	3.013	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408862642	LBWQBGGSVHTTRK-XYHOIZSOSA-N	486.775	3.112	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	408872283	CLGOUXHGUHZWRB-NSRYLYFRSA-N	493.029	3.498	50	40	JGGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(Br)o1	408972986	QZOBOBGHWYTPNH-CNPYVQQSSA-N	450.333	3.411	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2cccc(C)c2)cc1	409067819	ZRNAIZNCYNNVRO-VULFUBBASA-N	479.558	3.373	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)c(=O)c1C#N	9892474	SCMZTPGEIKQLMI-QDTIIGTASA-N	462.481	3.043	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccc(C)cc1	12250238	PJLDAALXNLWTLT-LEWJYISDSA-N	465.531	3.113	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1O	19952397	HMRASRRACZYMGF-XQNSMLJCSA-N	468.491	3.036	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(Br)cc1	20493210	JYZTXZALFMOWRW-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
O=C(COc1ccccc1C(=O)NNC(=O)c1ccccc1O)Nc1ccc(Br)cc1	22258901	AUXWMTRIUJFSRO-UHFFFAOYSA-N	484.306	3.247	50	40	JGGB	
CCOCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95682021	WHOBMRMYOZFLCO-UHFFFAOYSA-N	479.361	3.434	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	408771168	FUGBJFGMKAJCFI-XQNSMLJCSA-N	497.489	3.239	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1	409024004	GTSRKNXDCGMZCB-KGENOOAVSA-N	499.374	3.160	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	409127184	IQRHOCCJDYTIDE-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OCC)c1	409168768	NLJNEKXKWABIIF-XODNFHPESA-N	494.470	3.098	50	40	JGGB	
O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)NNC(=O)c1ccc(Br)cc1	2628103	LVRCOCJCDKUUGE-UHFFFAOYSA-N	482.334	3.494	50	40	JGGB	
CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(COc4ccccc4)o3)C2=O)cc1	8690554	JXBOGZWVMLRJGF-OAQYLSRUSA-N	463.490	3.214	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1OC	19956918	IDNPBINKFGCBHM-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	100958966	IKKAVKVYRVZYNG-BOURKTIISA-N	462.527	3.045	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCC(N)=O	408973029	XPBATFZVTMPDTG-YSURURNPSA-N	490.310	3.231	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)NCc1ccccc1	409160072	PPCWWEYOYISCLX-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	2520772	CQSLPDHJUHBMJG-RWPZCVJISA-N	495.547	3.289	50	40	JGGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3ccccc3F)C(C#N)=C(N)N2C1=O	3770438	MYTKEZVEYLDYKK-ICSRJNTNSA-N	492.532	3.283	50	40	JGGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(I)c1OC	30843670	MQCRKPMBDBNXNL-FBHDLOMBSA-N	468.291	3.454	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1O	108983808	PRTNXSHTHKQBFU-RQZCQDPDSA-N	466.366	3.432	50	40	JGGB	
CC[C@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	217488301	CFNIGCYRNHVPFF-KHPFATAHSA-N	497.585	3.133	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Cl	408669109	MSVLDDJZMOYVIK-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2)S(C)(=O)=O)cc1	409027917	GAEHYXVSNWZANJ-MFKUBSTISA-N	465.531	3.423	50	40	JGGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNS(=O)(=O)c1ccc(Br)s1	12799065	BOYHBTSCDKQWFC-QMMMGPOBSA-N	484.191	3.050	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)ccc1O	16362827	QXLWLIUDVVRWKA-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C/c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1	101514903	SXDHHAFREKRSJL-MHWRWJLKSA-N	466.500	3.084	50	40	JGGB	
CC(C)N1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21	102376025	YFMBITXPKVKKSS-ATJXCDBQSA-N	468.560	3.438	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1	408542613	MNEUBNURUBGBRR-AUWJEWJLSA-N	459.252	3.245	50	40	JGGB	
CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)CC1	408678188	CTAQDQOCZUFLMV-QMROVXIMSA-N	461.356	3.068	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409157273	PNPCJUKQMKNTFD-OPEKNORGSA-N	495.363	3.384	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1	409267792	XRQISKDZBJJBFU-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1I	1895004	MTUCIZLUIBWIAQ-UHFFFAOYSA-N	495.317	3.097	50	40	JGGB	
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2625341	JCGYNSSXNDFJIX-UHFFFAOYSA-N	480.531	3.457	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1	9291280	RBKMKDGXLLBYQG-CXFFPLRNSA-N	480.517	3.184	50	40	JGGB	
CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	13097830	ZSSCQDXWXYITGD-UHFFFAOYSA-N	488.909	3.148	50	40	JGGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(O)c(Br)c1	408727162	QGGXYSWBZRIOQE-CGOBSMCZSA-N	471.105	3.208	50	40	JGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1	409023369	SBTDRJVKIDYHMB-FSJBWODESA-N	471.366	3.258	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	409065367	ROSOGXQBCSOPAK-CVKSISIWSA-N	481.574	3.359	50	40	JGGB	
O=C(COc1ccccc1I)N/N=C\c1cccn1-c1cccc(C(=O)O)c1	409096359	KXJSIDVKMRAJSN-UUYOSTAYSA-N	489.269	3.309	50	40	JGGB	
COc1ccccc1C(O)(C(=O)NNc1cccc(Br)n1)c1ccccc1OC	838092	BJWVLDKEXLTMNE-UHFFFAOYSA-N	458.312	3.241	50	40	JGGB	
CCOc1ccccc1Nc1nnc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1	3296281	ZBGUIISJYOXTFC-UHFFFAOYSA-N	474.524	3.142	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2OC)S(C)(=O)=O)cc1	8384483	MATLOVKDOOEASN-KOUDTOEKSA-N	498.399	3.161	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)cc1	9738933	XSLDFXMRODDBMN-UHFFFAOYSA-N	459.911	3.224	50	40	JGGB	
O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)NNC(=O)c1ccccc1F	9981821	IJXSYDSHIFRFTH-UHFFFAOYSA-N	458.449	3.296	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1	20210183	XKQBQRWEMSLBDL-WGOQTCKBSA-N	497.573	3.199	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)c(O)c1	408586955	DFPAUJHVJDPSBV-UFFVCSGVSA-N	453.280	3.346	50	40	JGGB	
CC1CCN(c2ccc(/C=N/NC(=O)CN3C[C@@H](c4ccccc4)CC3=O)cc2[N+](=O)[O-])CC1	408972412	BOEGHRJJTQLMCH-YYHBXHNPSA-N	463.538	3.297	50	40	JGGB	
COc1cc(/C=N/NC(N)=O)c(Br)cc1OCC(=O)Nc1cccc(C(F)(F)F)c1	668971	VXEGWAQNXLACHY-KTZMUZOWSA-N	489.248	3.496	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)cc(I)c1O	1434391	WQNCTQHOQRJBAE-KEBDBYFISA-N	454.264	3.233	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1Br	8820290	YVXXETAMHSZHRZ-GXDHUFHOSA-N	480.365	3.095	50	40	JGGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NN(C)C)cc1	9599772	LQFNGBKLVBZZDJ-UHFFFAOYSA-N	472.592	3.422	50	40	JGGB	
O=C(COc1ccc(I)cc1)N/N=C/c1cc(Br)ccc1O	9948959	QCMHSDZKRQHIRY-QGMBQPNBSA-N	475.080	3.288	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	28215183	JYMHAZURNSGYAY-VULFUBBASA-N	451.454	3.381	50	40	JGGB	
COc1c(Br)cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1Br	30734433	ZSOFYJPMKRUGSK-KKRIJPJFSA-N	495.171	3.200	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	59427934	LPIBZJQRWGVQBM-NLRVBDNBSA-N	465.575	3.387	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1cccc(Cl)c1Cl	408683144	KMHGASJAAHQYJA-XQWMKACFSA-N	463.111	3.046	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	408780653	HEUQNSRXTWIPGR-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)cc1	408818103	ZGISBVMQICBOHN-MLPAPPSSSA-N	479.230	3.137	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	408980023	PNXJVJODPIQEJJ-BBMHEYIBSA-N	456.499	3.463	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c1-c1cccs1	9308009	JSUZRAMAVYJFTH-ZMOGYAJESA-N	456.491	3.392	50	40	JGGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1OC	12275634	YYEAQHCHPXBCFI-VOIUYBSRSA-N	468.531	3.364	50	40	JGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=C1CCCCC1	59490188	GCNXMQUPBCRWAX-UHFFFAOYSA-N	461.515	3.229	50	40	JGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cc(Br)ccc1O	83329503	FGTGSQQCBCHLGS-FMCGGJTJSA-N	465.779	3.076	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)ccc1O	409015891	CGMMDSSGFKTMJH-CVKSISIWSA-N	485.537	3.271	50	40	JGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	9265160	XKYCAXLUODMMQJ-CCVNUDIWSA-N	472.467	3.212	50	40	JGGB	
N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	9353113	ZJTGAWMXWZCBPC-CGXNFDGLSA-N	474.860	3.267	50	40	JGGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1	9544439	VBLFRIXUCDBLMQ-UHFFFAOYSA-N	473.595	3.097	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1	16691619	KBZUUCPDAAIIBO-MFKUBSTISA-N	481.530	3.160	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1OCc1ccccc1	35314118	BYZPKBARAJCUEG-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c1	409153097	KRIJRJKAHLTYSP-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	409250695	MMYYYMROHIRABR-QAYGKXGKSA-N	488.972	3.348	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1OC	409363590	MKMPPYXEUHCPSS-UUYOSTAYSA-N	498.317	3.409	50	40	JGGB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1	8714028	LBQOCTFSUHIPQU-PDGQHHTCSA-N	484.559	3.346	50	40	JGGB	
COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	8766311	FSAQZRAGGHAGLB-RGEXLXHISA-N	469.588	3.446	50	40	JGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1	9354066	CXFRDMWUCFEAGE-AFXVXQJMSA-N	468.469	3.230	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1	20060077	MGAJIHCFTBTVBO-PCLIKHOPSA-N	467.547	3.445	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	28214021	RFJPNRAVGGQRGN-FQNOVECQSA-N	461.518	3.481	50	40	JGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	408768362	WOGPMZXTDKCWBX-QFEZKATASA-N	482.562	3.279	50	40	JGGB	
COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	408793474	PCQHXJVBISKLOO-AWNIVKPZSA-N	490.266	3.463	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OCC)c1	409150438	BXFRTRIOCSHGNV-UVHMKAGCSA-N	492.935	3.262	50	40	JGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I	409193332	IZLPHGMXESSQIL-ZROIWOOFSA-N	468.291	3.199	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409271948	WOJQXSLZHKTEFH-SVLFYUKMSA-N	464.444	3.088	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2cccc(C)c2)cc1	9762813	KNJQQWGQYAQYKY-CVKSISIWSA-N	479.558	3.343	50	40	JGGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)CCc3ccccc3)nnn2-c2nonc2N)c1	13811497	QSGWWBLOGQDDGK-MFKUBSTISA-N	460.498	3.037	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1	20499704	LWOYHXBXYAWXGH-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OC	33604062	OSBCXACBBRPUJR-SRZZPIQSSA-N	484.290	3.480	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1	58853456	RDCXJNQXWNZXOK-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)N2C(=N1)SC(C#N)=C2N	408602116	ALPAXGDUBGXWCC-SFHVURJKSA-N	458.540	3.441	50	40	JGGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)c(C#N)c2=O)c1	409052667	HQJUPKJTYGYHPF-MSXFZWOLSA-N	450.296	3.247	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1ccccc1C(F)(F)F	409156729	OYUJTWXZGJOEID-FJEPWZHXSA-N	498.461	3.489	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409264632	QLKQAXFWXJFKGN-DKZNWEEVSA-N	465.337	3.376	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC	2658903	IESDEJUEOADSNF-BUVRLJJBSA-N	452.536	3.428	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1	6600884	BRNJVWMRAWXKJI-MFKUBSTISA-N	451.548	3.253	50	40	JGGB	
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Br)c2)c2ccccc21	8836355	KGHLRIQYMQHNGD-HNENSFHCSA-N	467.323	3.027	50	40	JGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	36047264	BACXESOKGVBXLT-FYZIXHEXSA-N	473.489	3.288	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1	59472789	ODQBZYBGZXTZQE-OVVQPSECSA-N	492.557	3.333	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)c2ccccc2)cc1	59953652	XLZGOLZVAHVIGI-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCc1ccc(Br)cc1	408607909	FPZCNZMMUXDMGH-WYMPLXKRSA-N	462.344	3.259	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Cl)c(Cl)c1	408905996	BXBPULJFXQTCJZ-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409128349	FGLOMMHHOZOUEU-PCLIKHOPSA-N	465.531	3.371	50	40	JGGB	
NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br	409258727	ZQFKAQILAHKWAY-YXSASFKJSA-N	489.551	3.493	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccc(Cl)cc2)cc1	1059685	ZUTOHOROKYFRDU-UHFFFAOYSA-N	489.962	3.133	50	40	JGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc1OC	2700174	PLHFMKJXHZXHNX-QHCPKHFHSA-N	473.485	3.169	50	40	JGGB	
Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820472	FPSBLFDRJHNBJF-VNVABUEJSA-N	487.628	3.152	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(Br)c(Br)c1O	15223115	CLLAVPYHSSCKIH-IGLBNKAOSA-N	460.122	3.128	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	20209793	JCVSDINZSBZGNP-CIAFOILYSA-N	468.373	3.153	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCCc1ccccc1	58881132	PZJRMJGYJPLISN-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
O=C1OC(=O)[C@@]23[C@H]4[C@H]5[C@H](Br)CC[C@@H]5[C@H]5[C@@H]4[C@H]4[C@@H]([C@H]6[C@@H](Br)CC[C@H]6[C@H]42)[C@]153	104285555	SUCSRMYAWNBEFQ-UWVRGKMUSA-N	468.185	3.387	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408963799	AVNUBAFYMKAYOU-FOKLQQMPSA-N	477.233	3.086	50	40	JGGB	
Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	409168108	KECKULLASJLOHS-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OCC)c2)cc1OC	409324926	WMTJINSQRQZTHL-ROTLSHHCSA-N	463.918	3.164	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3O)nc3ccccc3c2=O)cc1	1283324	LDOHYKQXMWLHKY-VULFUBBASA-N	490.541	3.351	50	40	JGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)c1OC	2251109	UHBGQFHNSWYQEE-QFIPXVFZSA-N	473.485	3.169	50	40	JGGB	
O=C(Cn1cnc(Cl)c1Cl)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2577815	GNOKPCWVVIMXEJ-UHFFFAOYSA-N	485.193	3.237	50	40	JGGB	
Cc1cc2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)n2c2ccccc12	6195117	ZOVAHMGRAQNQEY-UHFFFAOYSA-N	455.927	3.163	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	19950715	JYSJDOBKVBYOTG-PCLIKHOPSA-N	483.546	3.145	50	40	JGGB	
C[N+](C)(C)CC(=O)N/N=C/c1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	73258428	JHKCCXVYTQLEKJ-FSJBWODESA-O	497.444	3.495	50	40	JGGB	
CCc1cccc(C(C)C)c1NC(=O)/C(=N\NC(N)=O)[C@H](C(=O)OC)c1cnc2ccccc2n1	102947845	KVPLHVOBCIOKCU-OOYMULHYSA-N	476.537	3.235	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1	408666724	OZFBHGASMOSSQG-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	408941945	QZBFALJEYJUGOW-ZVHZXABRSA-N	487.379	3.185	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c(OC)c1	409019886	XSYYDBPEKKBIRA-WMPMWDHYSA-N	455.555	3.381	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1	409164997	QTPDGMLOLLHUCO-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	409236567	SAKUHZKFKMRSNE-UFFVCSGVSA-N	463.357	3.119	50	40	JGGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cn2cnc3sc(CC)cc3c2=O)cc1OC	1784416	BOEQWIUBZFYYRJ-NUGSKGIGSA-N	493.383	3.341	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)nnn2-c2nonc2N)cc1	2384894	DSKGQDIDENAOQQ-YSURURNPSA-N	487.307	3.369	50	40	JGGB	
COc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC	12285319	MVAFYHDRGJXFIC-JFCTXRHESA-N	473.485	3.354	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(I)cc1	13616171	PUXBHUDDANZPHE-SFQUDFHCSA-N	461.303	3.465	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(C)(=O)=O)cc1Cl	20213086	RRECWVRPPJOOST-UFWORHAWSA-N	462.753	3.229	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	33663912	HTDYCCLNEHKTPM-IMRQLAEWSA-N	495.601	3.229	50	40	JGGB	
NC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc([N+](=O)[O-])cc1	103640906	MPNFRQBESOZRJG-JOCHJYFZSA-N	475.457	3.283	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccccc2)cc1	408868715	ODXCPKCQEAVRQM-PCLIKHOPSA-N	465.531	3.112	50	40	JGGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2CCS(=O)(=O)c2ccc(C)cc23)cc(OC)c1OC	1652814	UINNHOHVSPYUAV-OAQYLSRUSA-N	468.531	3.417	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20207416	TZMFLDFKQOUFPE-NLRVBDNBSA-N	464.547	3.245	50	40	JGGB	
O=C1OC(=O)[C@@]23[C@H]4[C@H]5[C@H](Br)CC[C@@H]5[C@H]5[C@@H]4[C@H]4[C@@H]([C@H]6[C@@H](CC[C@H]6Br)[C@H]42)[C@]153	104285550	SUCSRMYAWNBEFQ-IJWHKRFHSA-N	468.185	3.387	50	40	JGGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)Nc1ccc(F)cc1	108175648	QKPOQIXHELXVIT-WJDWOHSUSA-N	488.313	3.371	50	40	JGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C\c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1	210964607	UBZAMQVAIWEWNA-QFEZKATASA-N	465.531	3.378	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1	408602368	DFBBHFQHFMULIT-XODNFHPESA-N	495.919	3.423	50	40	JGGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	408780510	CMTXIJOTBNLXNS-XFBJJFJZSA-N	455.580	3.053	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1	409160120	XVNNVTGIRAPRIH-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1	6906899	QMFNGHGCMKMXOK-ZMOGYAJESA-N	464.434	3.090	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C1/C(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1	14166219	FYXBPELYTIRNQT-UHFFFAOYSA-N	482.949	3.316	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1O	19956936	VUWVQQHFNCRXGR-BUVRLJJBSA-N	453.520	3.131	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC	20213059	GAAYGHBYBPBUPD-YDZHTSKRSA-N	465.959	3.138	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1	33370769	SIUXTAMWDTYXTH-QFEZKATASA-N	478.461	3.393	50	40	JGGB	
N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	34849542	YBWBKNWQBNGMGI-BURNTYAHSA-N	474.860	3.267	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]23)cc1	70670008	ZPBQZICITOTQEU-RDBBVZKFSA-N	499.608	3.448	50	40	JGGB	biogenic
O=C(NNc1nc(=Nc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1)Nc1ccc([N+](=O)[O-])cc1	408725984	OJBFRTFOLNTIDG-UHFFFAOYSA-N	457.454	3.259	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1	409226704	RMFJJTDSSIBQSI-RIYZIHGNSA-N	474.311	3.266	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OCC	409315822	KRFQEJAGXIKJAH-KSEXSDGBSA-N	495.326	3.482	50	40	JGGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1	409318503	YLPIXGYKZTYNKR-CVEARBPZSA-N	487.361	3.426	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc([N+](=O)[O-])cc1	1193807	VCCNVYLKFDBQGY-REZTVBANSA-N	490.051	3.431	50	40	JGGB	
CCn1c(SCC(=O)N/N=C\c2ccccc2OCC(=O)O)nnc1-c1ccc(Cl)cc1	13596324	BCLHOOJNKFUUIQ-KSEXSDGBSA-N	473.942	3.324	50	40	JGGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)c1ccc(F)cc1	408791441	YXRUXTDUHPDUQA-SSDVNMTOSA-N	480.315	3.424	50	40	JGGB	
COc1ccc(SCC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1	408851253	WVEPTHWMQNWJJR-JAIQZWGSSA-N	454.346	3.130	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1)Nc1ccc(Cl)cc1	409152363	FCFZIRXMIZUNII-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1OCC	409185280	VQLRSJPWJKURRQ-WGOQTCKBSA-N	482.562	3.225	50	40	JGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12	409340379	VZHJNTSFWDFLIP-UHFFFAOYSA-N	464.591	3.374	50	40	JGGB	
COc1ccc([C@@]2(C(F)(F)F)NC(=O)N3N=C(N4CCOCC4)N(c4ccccc4)C3=C2C#N)cc1	3230828	LCUJVKMBFZXTFG-HSZRJFAPSA-N	498.465	3.337	50	40	JGGB	
N#C/C(=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1	98086340	ZUPCNZURNHFIHL-XDJHFCHBSA-N	460.509	3.490	50	40	JGGB	
O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408681280	HNJBTSFYFKPYSV-UPGMHYFXSA-N	461.356	3.212	50	40	JGGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCC(=O)O	409065940	LCKBVGHFSSBVKV-WOJGMQOQSA-N	450.447	3.219	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(F)cc2)cc1OC	409118025	YNXAGGNNURMSGB-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c1	409157492	VSOWBXVVAWHKIF-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1	2361693	NRPOZWMGBCNLTI-AFUMVMLFSA-N	491.581	3.135	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1	16576842	SHVWUQIBZCVXEO-JAHXYKFVSA-N	472.545	3.270	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccccc1	19926400	PAKJMFKVJORRIH-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(C(=O)O)cc1)Cc1ccccc1	33656030	WTMMFDWZGYIQKC-YSMPRRRNSA-N	495.557	3.043	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)cc1Cl	35058636	JIWMJNIWPFEPIY-QRVIBDJDSA-N	451.976	3.417	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1	408775757	USMBMEBQNBTUKV-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1	408776719	QRTSPIGPXHEMSV-OEAKJJBVSA-N	466.991	3.111	50	40	JGGB	
COc1cc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc(OC)c1OC	9010534	OUWHQROZJXQZLA-LJQANCHMSA-N	494.504	3.346	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)c(O)c([N+](=O)[O-])c1	12418086	FKMSDEIAEDXYMD-UFFVCSGVSA-N	474.271	3.080	50	40	JGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1)S(C)(=O)=O	16362655	ZIHMWPAHIWDGRU-MFKUBSTISA-N	465.531	3.423	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)N1CCOCC1	23740501	CPVPZVPVFNUNEB-OGLMXYFKSA-N	490.560	3.104	50	40	JGGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1ccc(Br)cc1	24311724	VLYAKGCYBKVUJA-NSHDSACASA-N	456.134	3.369	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	100958996	RIQUUFCBFARYHX-VHWUNXFSSA-N	456.907	3.379	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(Br)c1O	105793402	ZXCCSVSJIGOAQK-AUEPDCJTSA-N	454.280	3.427	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)c(C)c1	408896331	XYQPMNBIKJJIDE-ZMOGYAJESA-N	473.986	3.367	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	408939114	MVIDRVWYXSXSRL-VULFUBBASA-N	450.470	3.499	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2Cl)cc1	409253974	HGCKALATCHPEEK-MZJWZYIUSA-N	488.972	3.047	50	40	JGGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)c2)cc1	409273512	YRLSPILURWEXJP-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC#N)cc2)ccc1OC(=O)c1cccs1	2405248	RDUVDDGBCHJBSL-AFUMVMLFSA-N	462.487	3.131	50	40	JGGB	
CCC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(O)cc1	9234352	BGEHKEYMSYEGJI-XIEYBQDHSA-N	492.565	3.473	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1O	59516165	XEDNXWJGGBHDIY-MFKUBSTISA-N	467.547	3.050	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	59960291	YKDSVPOGYRBWHQ-WGOQTCKBSA-N	466.538	3.002	50	40	JGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)c1	408529124	CCSIYWKWMFXPCG-SQEMJAKJSA-N	497.511	3.171	50	40	JGGB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1cc2c(cc1Br)OCO2	408727215	PFWSKZLWMROOKO-FBCYGCLPSA-N	452.286	3.470	50	40	JGGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	409069306	XBXQJLXGYIMDCQ-LSCVHKIXSA-N	459.627	3.382	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1O	1774942	FTMWQHTUCNDMPI-SFQUDFHCSA-N	475.979	3.488	50	40	JGGB	
N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NCc1ccccc1	3311312	QYVJOOAUCXJVAG-LTGZKZEYSA-N	477.542	3.191	50	40	JGGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	9516631	OBQDUBVTTXKLGZ-LLVKDONJSA-N	461.234	3.462	50	40	JGGB	
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c21	9846861	NRZAMYVBJBRHSU-LIRRHRJNSA-N	472.339	3.325	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	16071669	RTRCWARPNSWFAG-QGZVFWFLSA-N	469.563	3.099	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1OC	19947865	RQOWVPRGNJQDTH-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1	33957980	ZVPNPVLAZBWPOH-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OCC(=O)NCc1ccccc1	408602523	DMUANXGICGDENV-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409267922	WVPUMGIJNFJJNQ-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1/C(=O)Nc3ccc(Br)cc31)CO2	2312072	UYMMZRIALLSZMN-KRWDZBQOSA-N	458.312	3.359	50	40	JGGB	
O=C(CCCCCCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1	8397949	TVYBCOSWGKMJBK-UHFFFAOYSA-N	454.531	3.423	50	40	JGGB	aggregator
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(I)c1OC	13858063	QVUQTAZJKLUAHX-UFFVCSGVSA-N	468.291	3.454	50	40	JGGB	
O=C(COCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C\c1c(O)ccc2ccccc12	17024736	HUEMOGJDVJPZNI-DYCUMYEBSA-N	470.485	3.021	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1	58915285	QJNUNQMBAFWGMG-PCLIKHOPSA-N	468.579	3.409	50	40	JGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cc(Br)ccc1O	83329504	FGTGSQQCBCHLGS-FSJBWODESA-N	465.779	3.076	50	40	JGGB	
CN1CCN(C(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1	102735713	GRVPVNGAKKAGRU-COLVAYQJSA-N	487.074	3.446	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCC(=O)O	408749509	PYDWFKPFZFEYTM-DNTJNYDQSA-N	486.116	3.448	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccc1Cl	408921033	BKPPAWDVHURYHX-LIMNOBDPSA-N	477.848	3.004	50	40	JGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2C)c1	409025942	BDILEERAKPWLIH-ZVHZXABRSA-N	483.550	3.227	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1	1846675	PEPZBKGBFSXRJG-YHFTZZRNSA-N	454.245	3.349	50	40	JGGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3Cl)nnn2-c2nonc2N)cc1	9463708	ZLVWDZDOBIRWLC-NUGSKGIGSA-N	457.281	3.279	50	40	JGGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)o1	9588011	ZHWTUORKUMBEIG-UHFFFAOYSA-N	453.948	3.189	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	9612391	FIJSBERMFMUILT-QDBIWTGHSA-N	490.560	3.330	50	40	JGGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccco1	20170659	QKUDWFIFFNRUQT-NRFANRHFSA-N	498.517	3.445	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1O	30968136	SSYOVCAVJBHTLN-JMIUGGIZSA-N	470.263	3.177	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	58927611	JQSBQNHGDDUOLC-JVWAILMASA-N	480.521	3.382	50	40	JGGB	
COc1cc(/C=C/C(=O)NNC(N)=S)cc(Br)c1OCc1ccc(C)cc1	62715546	VHCNNQXCCWLQAX-BQYQJAHWSA-N	450.358	3.223	50	40	JGGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1	409227972	YJJTXZGIILTFPG-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1	409257288	PUEIJFLGNOSKJA-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(=O)[C@@H](Cl)[C@H]3c3ccc(OC)cc3)cc21	1084156	PPDZCJUEYODALN-RBUKOAKNSA-N	459.861	3.385	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(C)cc3)nnc2-c2ccncc2)cc1	1223925	TXGAEPHSOQFZEF-UHFFFAOYSA-N	474.546	3.200	50	40	JGGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1	2408302	UZZHDKOATJKBAH-XOVFHRFOSA-N	450.882	3.342	50	40	JGGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O	3643922	YSJVCDVANZPOPV-FYWRMAATSA-N	483.322	3.309	50	40	JGGB	
CN(Cc1c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N)c1ccccc1	9293479	CCBJQEZOPWFVEM-LQKURTRISA-N	493.531	3.300	50	40	JGGB	
C=CCc1cccc(/C=N\NC(=O)[C@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)c1O	9716232	ACTCENUMCMNYEF-GXZQEHIMSA-N	481.512	3.391	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)cc1	9846851	FSFWHOBQZNOOIX-VWLOTQADSA-N	468.513	3.491	50	40	JGGB	
O=C(NNC(=O)c1ccccc1OCc1ccccc1Cl)c1csc(N2CCOCC2)n1	12803293	GHSGVPRACIMZFJ-UHFFFAOYSA-N	472.954	3.287	50	40	JGGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21	13567682	PTZXVCCDBVUZMV-SANMLTNESA-N	456.452	3.404	50	40	JGGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	38175513	CYORRFYMNPFCCP-YDZHTSKRSA-N	488.909	3.299	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	58985763	SAJQDNZJQWYSEN-HYARGMPZSA-N	480.384	3.009	50	40	JGGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1	195778931	KPNSXQNKDQMBAW-IJXRJRJASA-N	485.730	3.040	50	40	JGGB	
O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408685626	PNOBDQPCYSTINY-CRCHGLNGSA-N	499.317	3.147	50	40	JGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I	409193615	HXYMHOUVAGNGOH-UFWORHAWSA-N	458.639	3.172	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1	409265088	MOWUCEUGHBXBPB-NPSPNJCMSA-N	468.554	3.003	50	40	JGGB	
CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)NNC(=O)c3ccccc3F)c2)CC1	9715806	JGXABDAOCSZVND-UHFFFAOYSA-N	498.374	3.084	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	59516161	SJBJCSJFCIUUFD-PCLIKHOPSA-N	451.548	3.345	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=CC(C#N)=C[C@H]32)c(C)c1	104006458	CXFRDMWUCFEAGE-ODAXIHTASA-N	468.469	3.230	50	40	JGGB	
O=C1NC23C[C@@H](Br)[C@@H](Br)CC12C[C@H](Br)[C@H](Br)C3	104277959	KPGFGUJLASAUPU-KRQXNKHASA-N	494.847	3.483	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(I)c1)S(C)(=O)=O	408776548	PJBSDQYDRADOMT-KGENOOAVSA-N	499.374	3.160	50	40	JGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1cccc(Br)c1	408866218	GONHGALYANAGGT-DHRITJCHSA-N	454.328	3.018	50	40	JGGB	
C[C@@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12	4502054	JLZLWNGCXISZCS-MCMPNJTDSA-N	488.769	3.074	50	40	JGGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2)c1	12250477	KCKJBXHIHOGJIX-MRXNPFEDSA-N	483.546	3.432	50	40	JGGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccccc3C(F)(F)F)cc2)C[C@H](C)O1	14907306	KMEYFJMGUPNVNY-KBPBESRZSA-N	457.474	3.260	50	40	JGGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	20059919	ZVFBGTMJXCZNAO-UHFFFAOYSA-N	490.538	3.244	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1	20210021	NNTFSWITJUVRFM-PCLIKHOPSA-N	467.547	3.191	50	40	JGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1	22023944	UCQYWKZDQQFZDQ-UHFFFAOYSA-N	455.536	3.175	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccccc1	58881172	HCNNZVUUUVSJOR-AFUMVMLFSA-N	450.882	3.446	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1	102982870	ZFDSOKVPBHQOMJ-BUVRLJJBSA-N	469.519	3.364	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1	408892574	ILMHHIIQCAZXNH-ZVHZXABRSA-N	489.985	3.149	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1O	409151568	HTARVEQEWREUJG-DNTJNYDQSA-N	487.681	3.056	50	40	JGGB	
COc1cc(C(=O)N/N=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)ccc1I	8842857	GHDAIYLDFSRJAZ-ZGFXFUDXSA-N	476.274	3.054	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN(c2ccccc2)c2ccccc2)cc1	12776834	DCLZAJGKSZCVQT-UHFFFAOYSA-N	452.536	3.135	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1	20060566	XJHVPGWMCXPMRR-BUVRLJJBSA-N	451.504	3.039	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)Cc2ccccc2)cc1	59443700	MZYLUCIAKFMMDL-UHFFFAOYSA-N	456.568	3.272	50	40	JGGB	
CN1CCN(C(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1	102735709	GRVPVNGAKKAGRU-LKTVYLICSA-N	487.074	3.446	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(Cl)cc1Cl	408679271	DRCFURIIHJBWGK-BANCJSOYSA-N	463.111	3.046	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	409063479	LORPKPMWGJHHGH-QFEZKATASA-N	478.461	3.393	50	40	JGGB	
Cc1ccccc1N1C(=O)C(=CNNC(=O)c2ccccc2O)C(=O)N(c2ccccc2C)C1=S	2284076	OTUDNXPFDSFQHW-UHFFFAOYSA-N	486.553	3.492	50	40	JGGB	
O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1	8721964	HNIJVUGWNWBPCL-NQGGHMMCSA-N	460.406	3.031	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)cc1	13028012	VJZFYTVBSRRYDE-UHFFFAOYSA-N	482.591	3.088	50	40	JGGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2	58918313	XSJAKIQAQVHNEB-MFKUBSTISA-N	485.949	3.457	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl	408612928	XMARJSDVNLPPIQ-JYXARGHSSA-N	480.348	3.326	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1cccc(I)c1	408921318	GDYZTESRRSMLJC-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	409256190	KGKKFDDDRSBZAB-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1OCC	409309245	DINDHAJLMQPGDM-JJFYIABZSA-N	465.300	3.474	50	40	JGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1	1917836	HSBYQWQGCQKMMR-HKRNCWMRSA-N	487.512	3.131	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O	3060503	SRUUHSMFHIYWQX-PCLIKHOPSA-N	467.547	3.132	50	40	JGGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	3146671	PTVDCMWHJJELRX-ZMOGYAJESA-N	471.922	3.414	50	40	JGGB	
CCN(CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OC	9178122	AANWAUFZDZKTBT-IBGZPJMESA-N	453.543	3.181	50	40	JGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(O)c3)cc2)cc1[N+](=O)[O-]	15134703	PUTZGPMECQGJRJ-LPYMAVHISA-N	455.448	3.140	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	16187197	QFBOFDVWHZTYMA-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	20060514	ZUNRZUNLWVJSSL-CIAFOILYSA-N	452.374	3.489	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1Br	408721302	OENAQNYAWJTYEQ-DJKKODMXSA-N	464.121	3.015	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	408732196	PDJOBXVLSFDOHW-IFRROFPPSA-N	454.661	3.359	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccccc1Br	408852324	JOABQGOVEPQBQF-VXLYETTFSA-N	457.122	3.405	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC	408966448	LSPMVIPIITXWOK-WYMPLXKRSA-N	491.260	3.477	50	40	JGGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc3ccccc3)o2)cccc1[N+](=O)[O-]	409160464	QAEPBTUJCYOYCT-CBFMJHRQSA-N	450.451	3.197	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1	1313482	CXFRDMWUCFEAGE-GPJHCHHRSA-N	468.469	3.230	50	40	JGGB	
O=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	1754269	ANDFIDOCNSPPFY-UHFFFAOYSA-N	474.783	3.241	50	40	JGGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c2cc(Br)ccc21	2312422	QBQXFWDCNWPFPH-YXQVCNHYSA-N	496.361	3.387	50	40	JGGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1	9289471	RCHBJUXDQUJLBI-BUVRLJJBSA-N	487.307	3.456	50	40	JGGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(Cl)c(O)c(OC)c3)C3=C2CCS3(=O)=O)cc1	12420841	FSPAURCUXXAHLY-LJQANCHMSA-N	473.938	3.391	50	40	JGGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	19949735	CQAZRHFCLMKHOG-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1	209290480	YBTREGBKBSPLFP-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	2199084	ZCMPLPWVTMZMKW-QFIPXVFZSA-N	489.528	3.458	50	40	JGGB	
CCS(=O)(=O)Nc1ccc(C(=O)N/N=C2/SCC(=O)N2c2cc(Cl)ccc2C)cc1	13561479	IKHPPNRXTCHUHT-ZBJSNUHESA-N	466.972	3.191	50	40	JGGB	
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	17632799	RYRIHWUPEQDJSY-UHFFFAOYSA-N	466.423	3.482	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1	19950068	BXDFTWNKNVQISY-KOEQRZSOSA-N	466.563	3.107	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC	20061248	QROLQTGWFAUKOO-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3)nc2s1	20331938	ZNYNRGRJDNXUJY-GZTJUZNOSA-N	475.530	3.499	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100768907	MAFPMZXFWPXWJT-GHZLVZEESA-N	474.554	3.229	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)Cc2ccccc2)c(OC)c1	408727251	XZDCLLMRHPCMCU-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12	408962742	UICKHXNTWNIUSF-ZRGSRPPYSA-N	489.359	3.336	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cc(Cl)ccc1Cl	409025106	LOGDLALUPDSAOA-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)c(C#N)c2=O)cc1	409061321	CXJNLJHLTKAMGE-MXAYSNPKSA-N	480.322	3.338	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H](c2ccccc2Cl)C(C#N)=C1N	20459006	RKDNVQSAAUJHKB-LAINMTBBSA-N	498.391	3.099	50	40	JGGB	
O=C(CNC(=O)c1ccccc1O)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	100456311	IOFBTZFWDWQCMY-QUPMIFSKSA-N	497.338	3.496	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	408667436	VNYFJZOEKZANBW-IDPBPBMLSA-N	454.910	3.189	50	40	JGGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	408720300	XZFYPLLQTFMFMW-ZVHZXABRSA-N	470.551	3.370	50	40	JGGB	
CCOc1c(I)cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc1OC	408967832	SINFNYMTGHRIOO-YVNNLAQVSA-N	467.238	3.473	50	40	JGGB	
Cc1cccc(OCC(=O)N/N=C/c2sc(=O)n(Cc3cccc(C(=O)O)c3)c2Cl)c1	2212992	GFPSTKVPJJHRGW-AUEPDCJTSA-N	459.911	3.147	50	40	JGGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1	8399356	GWDVDVHZMNSFIM-UHFFFAOYSA-N	478.343	3.101	50	40	JGGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1	8400185	JJRGMWQHEDOMOV-UHFFFAOYSA-N	478.343	3.101	50	40	JGGB	
CN(C)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	9599771	SFAUJXLTDDKFFR-UHFFFAOYSA-N	458.565	3.032	50	40	JGGB	
CCOc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1	16693378	BIJPRNCISCVNJY-LGUFXXKBSA-N	465.575	3.469	50	40	JGGB	
O=C(CSc1ncccn1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28215078	DWASPKDMMPIJLY-BRJLIKDPSA-N	455.927	3.390	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)n1	28215081	VKCJEMVFLGMLRC-ZMOGYAJESA-N	455.584	3.164	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC	408725775	JZPXCZGEJQYZNE-RGVLZGJSSA-N	483.262	3.300	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c[nH]c2ccccc12	408943260	HIYQOEQEUYROJR-QHCPKHFHSA-N	491.573	3.053	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2cccc(Cl)c2)cc1	409061488	XYESKFGEZBZTEO-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2I)c1	409250306	WXLPTCDBKVEUDL-NVNXTCNLSA-N	461.259	3.281	50	40	JGGB	
C[C@H](C(=O)N/N=C1/C(=O)N(C)c2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409350366	XZOVOWFSHPDMHA-AGOQZKINSA-N	492.557	3.130	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C[C@@H](C)c3ccccc3)c2)cc1	12605772	ZKTIBMHZSUYSRC-QGZVFWFLSA-N	467.547	3.451	50	40	JGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(OCC)c1	20100813	LWBBNNYLCPGGBP-SRZZPIQSSA-N	484.290	3.323	50	40	JGGB	
Cc1c(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1	408896315	XSDVQPYOUUWIDQ-FSJBWODESA-N	480.377	3.404	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OS(=O)(=O)c1cc(C)ccc1C	3374615	GIBMPZYAARYGTJ-XHEHIBSSSA-N	496.541	3.370	50	40	JGGB	
CCc1c(C)nc(SC/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]c1=O	16161158	CSYKCGYSHAPVSR-PLRJNAJWSA-N	451.508	3.475	50	40	JGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)ccc1OCCN1CCOCC1	19852613	PMCXTQVHZLRCEQ-FQEVSTJZSA-N	467.570	3.035	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1OC	23410676	QZIZINQHFFYPCD-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	59246528	JXFPSZGRWISBEC-FMCGGJTJSA-N	466.763	3.464	50	40	JGGB	
Cc1cc(OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)c(C(C)C)cc1Cl	100080751	SMZPRRNECCNSMI-COOPMVRXSA-N	484.984	3.307	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(OC(=O)c2ccccc2)cc1	408688685	WOWWBRRLTPUQBH-YBZCJVABSA-N	499.313	3.203	50	40	JGGB	
COc1cc(OC)c(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1Br	408972502	CXIOQZIIXXYSRP-GEVRCRHISA-N	450.318	3.126	50	40	JGGB	
COc1ccccc1/C=C1/SC(=O)N(CCC(=O)NNC(=O)c2ccccc2Cl)C1=O	1190671	WMCUTWXBQLZYQB-SFQUDFHCSA-N	459.911	3.236	50	40	JGGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)n[nH]1	2363967	KNUQMEOUQGUQSG-UHFFFAOYSA-N	454.284	3.324	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1cccc([N+](=O)[O-])c1	2385653	QZOWEVRZEUUDFL-AWQFTUOYSA-N	491.327	3.101	50	40	JGGB	
O=C(N[C@H](C(=O)N/N=C/c1ccccc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1	9065123	JVUIUUSXYKVIGM-WMPMWDHYSA-N	459.893	3.198	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cccc(C(F)(F)F)c1	15231301	LIVFMVRAVVFLBG-YSURURNPSA-N	487.525	3.116	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1C	33431311	DSYABTXHSVAPJY-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
N#C/C(C(N)=O)=C1\S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1	96306100	ZCSJUOYPXZONIU-MURKYSCBSA-N	471.336	3.147	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(F)cc1)Cc1ccccc1	107589294	QYDJUQXPWLYLEZ-YSMPRRRNSA-N	469.538	3.484	50	40	JGGB	
O=C(COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(Cl)cc1	408670087	XBKVZLXWKIUJCD-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1	409268090	ZJMNSWIKPPWFGY-LQKURTRISA-N	458.518	3.087	50	40	JGGB	
COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)cc(OC)c1OC	2330264	VFNTVHHNMRTCLK-QOCHGBHMSA-N	486.484	3.047	50	40	JGGB	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	8722664	LZQVWYGNGQUDDA-ODCIPOBUSA-N	469.133	3.106	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1O	9553837	NVWMPJQQBQSFSH-AWQFTUOYSA-N	454.264	3.151	50	40	JGGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1	16872848	XPNSYXXPBXGNMH-XMHGGMMESA-N	469.588	3.397	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1cccc(Br)c1	20493208	BKQIECLDGRLGPU-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
O=C(COc1cccc(Br)c1)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408857940	NTSYTZAGPQKHJS-JMIUGGIZSA-N	487.148	3.170	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408905887	ANNARNOKTDCNJL-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1	408941063	PJBSIGMQNZDGED-DHRITJCHSA-N	460.918	3.215	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)cc1	409266012	JBMWXNAFUBOLKB-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)cc2)cc1	4522103	ACQKVSSOGQVPTQ-PCLIKHOPSA-N	481.530	3.437	50	40	JGGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc(OC)c1OC	12275497	QODNCGRRPKQFAF-QMHKHESXSA-N	456.495	3.495	50	40	JGGB	
O=C(NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	12794087	DEHBKSVCRBIXIY-DEOSSOPVSA-N	498.543	3.021	50	40	JGGB	
O=C(NNC(=O)C1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1	13130867	OUXQOJGYLXEXJM-UHFFFAOYSA-N	461.971	3.433	50	40	JGGB	
CN(CCCl)c1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1	13562090	QXOLGJBHHSVWLK-ATVHPVEESA-N	481.721	3.428	50	40	JGGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21	13677352	WWKDOYKVFAPFBA-UHFFFAOYSA-N	468.922	3.008	50	40	JGGB	
CN(NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)c1ccccc1	14334222	SHHRMTQRBPXOTI-HNNXBMFYSA-N	452.374	3.017	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1	19950700	XPISRNIYNNIZDV-KOEQRZSOSA-N	467.547	3.440	50	40	JGGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)ccc1I	408815633	IHNXIHAUWUBGPL-ZBKNUEDVSA-N	488.665	3.181	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409251470	QJDGMJSFIOKCCI-WGFYCLKKSA-N	468.554	3.084	50	40	JGGB	
CN(CCCl)c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1	824589	QXOLGJBHHSVWLK-SFQUDFHCSA-N	481.721	3.428	50	40	JGGB	
O=C(CCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl)NCc1ccccc1	8398856	JKKIGEBUDHCBNQ-UHFFFAOYSA-N	452.338	3.396	50	40	JGGB	
O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccc(F)cc1	8765989	RXHZJEPLHJPCDH-DHDCSXOGSA-N	494.367	3.251	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1	9065478	UJJPQEFXKVTYKJ-HGFFDCOOSA-N	496.571	3.391	50	40	JGGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1	9980948	PXVHEFXRPUOJBQ-OUKQBFOZSA-N	481.530	3.191	50	40	JGGB	
COc1cc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC	12137283	KGHBFOQZZNWLJY-UHFFFAOYSA-N	495.557	3.241	50	40	JGGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1	13811066	ISYIGUFCWSCVRK-AYCSXLNKSA-N	456.907	3.379	50	40	JGGB	
COc1cc2c(cc1NC(=O)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1)oc1ccccc12	16215118	MVUSNCVDRPSNCE-UHFFFAOYSA-N	473.894	3.196	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1	19953113	BDMWZAFWRIOXDE-AFUMVMLFSA-N	465.531	3.378	50	40	JGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20207507	KXFUIXNMQUYAOB-LPYMAVHISA-N	456.480	3.080	50	40	JGGB	
CCCCN1C(=O)C[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2CC)[C@@H]1c1ccc(OC)cc1	22699889	ZZSZSRMRGAVQBA-OFNKIYASSA-N	477.565	3.258	50	40	JGGB	
CCCCN1C(=O)C[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2CC)[C@H]1c1ccc(OC)cc1	22699890	ZZSZSRMRGAVQBA-NFBKMPQASA-N	477.565	3.258	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1	33722185	VFTCWGRRWVJUDK-MYYYXRDXSA-N	496.545	3.253	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1Cl	408644436	FRXHMXMLZXWYIG-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1	409262454	DXCREALMDKJEGW-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1	409263685	MDAMLKKOFFCSEI-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
CCCc1ccc(OCC(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1	994371	YFNLUOBZWZHRIR-UHFFFAOYSA-N	459.296	3.348	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3C(F)(F)F)nnn2-c2nonc2N)cc1	2220362	RUHNKUYPGWICJW-KBKYJPHKSA-N	486.414	3.081	50	40	JGGB	
O=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	12771921	XRXIQMFQCJQBKL-DHZHZOJOSA-N	450.322	3.129	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c1	20207760	MGJFWAGMXUDLJX-MFKUBSTISA-N	496.545	3.399	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59443968	YVBFIZXXHHKDGY-NLRVBDNBSA-N	481.574	3.088	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(C)cc1	59472965	NICOUXZWBICYEC-AFUMVMLFSA-N	472.954	3.398	50	40	JGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)c1	408895658	VFUYEGAMBASNHF-ZMOGYAJESA-N	473.986	3.367	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC#N	408969188	IUOXPLHKNJUHSS-KQBIVOJMSA-N	480.565	3.356	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(I)cc1	409228744	DMJAEQQQDWMCTI-DHDCSXOGSA-N	491.285	3.371	50	40	JGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1	1917839	HSBYQWQGCQKMMR-PZSRYKBRSA-N	487.512	3.131	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(I)cc1)S(C)(=O)=O	16162380	XXFKLMUSXQGBRJ-KGENOOAVSA-N	499.374	3.160	50	40	JGGB	
COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1cc([N+](=O)[O-])cn1	19827736	QXSPZWOICXWQMR-KNQAVFIVSA-N	455.478	3.442	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)c2ccccc2)cc1	20061003	SHDVLZNCUAAGLU-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	253488199	ZJTGAWMXWZCBPC-MHTWAQMVSA-N	474.860	3.267	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1	408981744	WOPVGMKZNBUBIN-XAOCGEIJSA-N	465.531	3.284	50	40	JGGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1)S(C)(=O)=O	409120214	YQTCKKQRAONXJE-CVKSISIWSA-N	498.536	3.003	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1ccc(Cl)cc1	409175152	QSBKMAGVUGYEBL-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409224895	LICKKAQNLNAOLQ-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
CN(c1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1)S(=O)(=O)c1ccccc1	813057	CZEAVRBHRNYCKK-LFVJCYFKSA-N	451.504	3.047	50	40	JGGB	
COc1cc(C(=O)N/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)ccc1I	4209703	GHDAIYLDFSRJAZ-UGVMZYNRSA-N	476.274	3.054	50	40	JGGB	
Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc2n1CCCl	10104460	ODRSBSUPKKAIRN-UHFFFAOYSA-N	454.745	3.360	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccc(C)cc1	12250240	PJLDAALXNLWTLT-NHCUHLMSSA-N	465.531	3.113	50	40	JGGB	
CN(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1	16187159	ZITMZPBIZPKIOJ-LSHDLFTRSA-N	478.290	3.239	50	40	JGGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1	102982188	ZPILGSRKHFRPTL-SOYKGTTHSA-N	488.569	3.152	50	40	JGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	409084868	XTHUOGXPSNQCII-UFWORHAWSA-N	458.643	3.415	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1	409152262	DTRIHGMTQZIALS-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1	8692196	QWUNEJRBNWSMST-VNSJDZJPSA-N	485.496	3.074	50	40	JGGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1	19956812	PJOGSIFVISZFKP-UHFFFAOYSA-N	494.598	3.385	50	40	JGGB	
CCOc1cc2c(cc1/C=N/NC(=O)c1ccc(I)c(OC)c1)OCO2	409096961	HEHJTSMXXUMATD-AWQFTUOYSA-N	468.247	3.191	50	40	JGGB	
O=C(COc1cccc(Br)c1)N/N=C1\C(=O)Nc2c(Br)cccc21	711483	OXJISROSNKYINU-UHFFFAOYSA-N	453.090	3.063	50	40	JGGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	3116170	PCPBVTGXKDAPDU-WYMPLXKRSA-N	470.279	3.141	50	40	JGGB	
O=C(COc1ccccc1)NNC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1	6474608	YPBAGSNPOFDPKA-UHFFFAOYSA-N	489.557	3.165	50	40	JGGB	
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1	8819131	WXKWWPUGAOQFSK-LICLKQGHSA-N	475.979	3.401	50	40	JGGB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccccc1Br	9056608	LLFSIZYFDIIBIT-AWEZNQCLSA-N	454.324	3.111	50	40	JGGB	
CCOc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3F)nnc2-c2ccncc2)cc1	12596921	IIFQBDPZUGSMLS-UHFFFAOYSA-N	492.536	3.420	50	40	JGGB	
O=C(NN[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	16758531	BRGJCAKAQZDCCV-FQEVSTJZSA-N	474.926	3.202	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19951390	RAHJXYUEAKLRAQ-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	20213455	FKEFSVKZLGBAND-VULFUBBASA-N	462.453	3.446	50	40	JGGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	33732278	RFABFKYIDDWDJA-WSDLNYQXSA-N	476.898	3.182	50	40	JGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)c2C)cc1	408858123	MIPYAWVIUIFDJZ-AFUMVMLFSA-N	456.543	3.458	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1	409011341	HGKNYARZQLHFFS-WYMPLXKRSA-N	466.321	3.004	50	40	JGGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)o2)ccc1Cl	409210249	IVLANNQCHROAGN-NUGSKGIGSA-N	459.846	3.340	50	40	JGGB	
CCc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccc(C)cc1	409329572	GDBPAVOCSXNXPT-AZPGRJICSA-N	490.585	3.250	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC	16187066	SGZUVWWBGNWCLJ-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1CN1CCOCC1	20827755	KQEQLKFVYDPPFA-PGGKNCGUSA-N	472.760	3.229	50	40	JGGB	
CCCCN1C(=O)C[C@H](C(=O)NNc2nc3ccccc3c(=O)n2CC)[C@@H]1c1ccc(OC)cc1	22699887	ZZSZSRMRGAVQBA-REWPJTCUSA-N	477.565	3.258	50	40	JGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	28214023	RFJPNRAVGGQRGN-BWJYWGHISA-N	461.518	3.481	50	40	JGGB	
Cc1ccnc2nc(C(=O)NNC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)nn12	32843970	VCKZKZJPQWYWEW-UHFFFAOYSA-N	457.881	3.376	50	40	JGGB	
CC(C)C[C@@H](C(=O)OC(C)C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	101904450	AUHOSLFGHNGOHL-FICWEOCZSA-N	479.209	3.131	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408756171	UNVBQPWANQHKNP-ZVHZXABRSA-N	499.501	3.452	50	40	JGGB	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)cc1	9222557	CNOXRYCZZPIEPF-UHFFFAOYSA-N	473.938	3.289	50	40	JGGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(I)c(O)c1	59426183	NFXKQLHNZIYALF-REZTVBANSA-N	461.053	3.229	50	40	JGGB	
O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/[C@@H]1C=CC(N=C=S)=C[C@H]1S(=O)(=O)O	145087936	MWJNUFGPCDQGAP-YMFQLODMSA-N	456.548	3.110	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1	408769632	XTHYXZGFBPFDEE-NUGSKGIGSA-N	451.829	3.414	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC	408876023	IRRIOKUWEZEWFD-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccc4c(c3)OCO4)o2)cccc1[N+](=O)[O-]	409155809	CXOQJTUKNMMEMV-VXHUXDJESA-N	464.434	3.161	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1	409157356	IWCFFWCLBAUCSU-XODNFHPESA-N	494.470	3.098	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409169923	RGVYNZTUWGHTBE-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1	409187158	MWDXEZPSLYRXCB-JJFYIABZSA-N	496.301	3.151	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1	409251966	ARVIIUYHFYRJOT-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(C)c1	409271244	KYMGPVODKAZGGS-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
O=C(Cn1c(-c2ccccc2)cc(=O)n2ncnc12)N/N=C/c1ccc(OCc2ccccc2)cc1	642387	NONFLDWAQQUVRT-MUFRIFMGSA-N	478.512	3.287	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c1O	2264494	ASRXESVOTOHCKT-UFFVCSGVSA-N	476.356	3.201	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3)nnn2-c2nonc2N)cc1	2325542	CNLLZPKZYCVHPW-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)c2)cc1	4528745	WZHVWEFVWCGMRU-MFKUBSTISA-N	499.545	3.286	50	40	JGGB	
CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)ccc1Cl	9493323	YRGNPTJUBFHSGY-UHFFFAOYSA-N	474.366	3.107	50	40	JGGB	
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	12538487	ROIRNLRPDNCXBI-IRXDYDNUSA-N	488.931	3.267	50	40	JGGB	
Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	19596012	ZURGVIJXPXMNTO-UHFFFAOYSA-N	478.940	3.367	50	40	JGGB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCBr)[C@@H]1c1cccc([N+](=O)[O-])c1	20792805	MCIAPXKGANXQCE-QGZVFWFLSA-N	453.289	3.331	50	40	JGGB	
Cn1c(=O)n(CCC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)c2ccccc21	22316431	XBBUORCRNFYFRB-UHFFFAOYSA-N	495.539	3.319	50	40	JGGB	
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1	31820827	RZQVEWVYSIQVGH-JOCHJYFZSA-N	459.531	3.120	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	408755526	VIJMFQINCVSFLK-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
COc1cccc(CC(=O)N/N=C\c2cc(Br)c(I)o2)c1	408950537	GFBQVIUFJRJBEQ-IUXPMGMMSA-N	463.069	3.348	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)c(OC)c1	408958599	ZKEZWUMVJRHHRH-PEBHVPEHSA-N	492.532	3.080	50	40	JGGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408974059	WPSAJGDORYTJSF-MFKUBSTISA-N	455.511	3.236	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)c1	409170388	VAAYODSRRQSOTE-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)ccc1OC	409321096	FCJARFFWOCMPLP-NHDPSOOVSA-N	484.290	3.480	50	40	JGGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409325345	YBTFOIHTXJRERR-MOPGFXCFSA-N	479.986	3.078	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(OC)cc1	639104	KYQWTZNZVCGKGG-RTWAWAEBSA-N	465.531	3.113	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Nc3ccccc3)cc2)cc1	6146241	DXXYXQFWXLQMOV-UHFFFAOYSA-N	454.508	3.353	50	40	JGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)N2)cc1	9089236	LFTLESOOHFCXFI-QGZVFWFLSA-N	483.546	3.432	50	40	JGGB	
Cn1ncc(Cl)c1C(=O)NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	9306082	HVYTUHMTHVBTMC-UHFFFAOYSA-N	464.938	3.238	50	40	JGGB	
Nc1nc(-c2ccccc2)c(CCCOc2ccc(NC(=O)CBr)cc2)c(=O)[nH]1	17040417	CICFPYYIHVLUQR-UHFFFAOYSA-N	457.328	3.364	50	40	JGGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1O	22802798	SCCLVMUZPWTKMX-MTDXEUNCSA-N	458.562	3.483	50	40	JGGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	26532150	WYGKHTIFCWRRCC-SNVBAGLBSA-N	461.393	3.460	50	40	JGGB	
CCOc1cccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O	36235346	KSUWHLGOQPPUQM-AVHNSXRFSA-N	473.485	3.441	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)c1ccccc1	59960063	SGNVPGBJPSOFPJ-JEWIKEISSA-N	462.481	3.171	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	409252700	USLLRMJZYXQTSA-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCCC(=O)O)cc1	409336495	OHQRKPPJRJGOAV-YYHBXHNPSA-N	485.537	3.100	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1	8442633	LLHUSBYIUBEWKC-AUEPDCJTSA-N	457.281	3.360	50	40	JGGB	
CC(C)(C)OC(=O)N[C@H](CC1=CN[C@@H]2C=CC=C[C@H]12)C(=O)N/N=C/c1coc2ccccc2c1=O	9290937	ORARIHUMNRZCOK-HBLFKGPCSA-N	476.533	3.124	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC	10476003	BZXKIPUNXGHHCN-OEAKJJBVSA-N	492.313	3.403	50	40	JGGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1	11868951	KIPKXSGOUWXEMK-LTGZKZEYSA-N	460.534	3.080	50	40	JGGB	
Cn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1cccc(Br)c1	13551629	JGKABLXGCQBEQM-ZVBGSRNCSA-N	474.340	3.216	50	40	JGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	59246615	WCCKAJYVMVVBND-KSEXSDGBSA-N	467.309	3.263	50	40	JGGB	
C[C@H]1CC(=O)N(C(=O)CCBr)c2ccc([N+](=O)[O-])cc2N1C(=O)CCBr	98003527	BNYOUTCTHDQYRG-JTQLQIEISA-N	491.136	3.150	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1O	109284022	KKUDNNJLPPJLGU-KEBDBYFISA-N	470.263	3.177	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1	408609002	IXSWTPAIMQWSIU-OLWYRFLESA-N	480.348	3.326	50	40	JGGB	
COc1ccc(Cl)cc1-c1nc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)n[nH]1	408637202	HIOCMSAWBYNLQV-UHFFFAOYSA-N	482.349	3.106	50	40	JGGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)ccc1OC(C)=O	409225883	SCMOZAFKKQTYRK-UHFFFAOYSA-N	461.474	3.256	50	40	JGGB	
COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1cc([N+](=O)[O-])cn1	1750435	QXSPZWOICXWQMR-DENIHFKCSA-N	455.478	3.442	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1O	20059665	TXYWVOXHPSCVKJ-PCLIKHOPSA-N	483.546	3.500	50	40	JGGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	108497162	KPLMFHRQOBBZAZ-DOXZYTNZSA-N	476.371	3.209	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	408922654	FTDDCRSNEURZTB-OEAKJJBVSA-N	482.474	3.085	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C	409172125	IBSPVYCMZRYUMY-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cc2cc(C)c3nnc(SCC(=O)NNC(=O)c4cccc(C)c4)n3c2cc1OC	877365	GRNCUTPCILVENK-UHFFFAOYSA-N	465.535	3.070	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2)cc1OC	1949337	WXLQVOPPEIVKOB-CIAFOILYSA-N	481.290	3.177	50	40	JGGB	biogenic
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	9140646	MVVYFXRTKHQWTG-UHFFFAOYSA-N	499.892	3.135	50	40	JGGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1	14907488	NKLHRXFIFRQHHT-KBPBESRZSA-N	457.474	3.260	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)c2ccccc2)cc1	18191698	ONHAKXUWWSYLET-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C)cc2)cc1	20232159	JRWRAVAZCPFFCQ-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
CCOc1cc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)ccc1O	30834278	XDYVFQHPQJUIEU-ZRGSRPPYSA-N	465.897	3.243	50	40	JGGB	
COc1ccccc1NCC(=O)N/N=C\c1cc(O)c(Br)cc1Br	67197082	ZXHKWJHYLMMRKH-ZBKNUEDVSA-N	457.122	3.488	50	40	JGGB	
CCO/C(=N\NC(N)=O)[C@H](C(C)=O)[C@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	100363616	HAHWMQFIDWVHBU-RDCFTJCDSA-N	453.580	3.055	50	40	JGGB	
COc1cc(OC)cc(C(=O)NN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)c1	112296079	YFVDETVIDBHRJI-UNOMPAQXSA-N	451.508	3.245	50	40	JGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1	408906890	DXUHKWSCLPOFHY-UEIZDATPSA-N	461.360	3.323	50	40	JGGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1	408939197	NAIGRUBXAJGHBI-DHRITJCHSA-N	460.918	3.215	50	40	JGGB	
Cc1ccccc1OCC(=O)N/N=C/c1sc(=O)n(Cc2cccc(C(=O)O)c2)c1Cl	2231276	RFENSNCMPVMFQR-AUEPDCJTSA-N	459.911	3.147	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1	2264496	QVWCWKJXNZSKPS-WYMPLXKRSA-N	478.538	3.076	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c(Br)c(Br)c1O	2295954	PSPQKTZZGQHGFK-DNTJNYDQSA-N	486.116	3.461	50	40	JGGB	
O=C(N/N=C\c1cc(O)c(Br)cc1Br)[C@@H]1COc2ccccc2O1	8914816	HSWSAIFQYJYICD-AVLIXPRSSA-N	456.090	3.207	50	40	JGGB	
C[C@@H](CC(=O)NNC(=O)Cn1ccc2ccccc21)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	9851317	PONDHXUINMACPK-IBGZPJMESA-N	496.011	3.207	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1	20059271	OPJUPUGJQRWRRU-PCLIKHOPSA-N	467.547	3.434	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1OC	100302937	AYWPBZANAMETAK-NLRVBDNBSA-N	497.573	3.454	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)c2ccccc2OC)cc1	409027988	WVTDAKIYBUCADY-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1	409166152	CMMRDNXGZJABDR-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1	409269422	JDYMMEIRGQJAST-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
O=C(NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1	8927216	FBYBBECDXLNHKS-AEFFLSMTSA-N	463.317	3.257	50	40	JGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(Br)c1	12289882	KESRWHPSMPVLPK-KGLIPLIRSA-N	455.349	3.164	50	40	JGGB	
COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1	12698585	QBHFNFVUQMWOCV-UHFFFAOYSA-N	471.608	3.424	50	40	JGGB	
COc1cc(C(=O)NNC(=O)CSc2ccc(Br)cc2)cc(OC)c1OC	13127652	FNEBZBBXAVWKLX-UHFFFAOYSA-N	455.330	3.028	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1	20210622	GEXJCZWHRISGQT-OEAKJJBVSA-N	486.506	3.170	50	40	JGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC	33482440	CGVDMBXWBRAXFG-AQTBWJFISA-N	455.536	3.424	50	40	JGGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cn(CC(N)=O)c4ccccc34)oc12	107836811	UQJQRNBWBRDFBY-PGGKNCGUSA-N	469.295	3.408	50	40	JGGB	
CCO[Si](CCCNC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC	195803039	HOBIHBQJHORMMP-UHFFFAOYSA-N	468.740	3.163	50	40	JGGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)Nc1ccccc1	408655042	COBKUWGETWLHCX-JXYJOFSCSA-N	487.339	3.452	50	40	JGGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	408905331	XJEICOIATJLYTC-WSVATBPTSA-N	473.077	3.355	50	40	JGGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409010877	FYSBHPMVXAWLGV-MTJSOVHGSA-N	457.537	3.284	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)cc1	409027159	BAZZRNGDKRTVNB-PCLIKHOPSA-N	465.531	3.293	50	40	JGGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC)cc2OC)nnc1-c1ccc(OC)c(OC)c1	8920685	FPXOCYQRNCDHLO-CFRMEGHHSA-N	485.566	3.242	50	40	JGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1C	9464338	REOGNTSTRPTOOA-UDWIEESQSA-N	486.594	3.163	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1	19950527	MFIXUEZEMFXCOH-YZSQISJMSA-N	497.573	3.448	50	40	JGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1	28214979	WYISQEHWKDPPMB-GHUPXSEJSA-N	459.502	3.233	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)C(N)=C(C#N)[C@H]2c2ccccc2)cc1	104606827	SIJCYZNRYOOKHD-RPBOFIJWSA-N	486.553	3.378	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	138515916	VNYFJZOEKZANBW-USNOLKROSA-N	454.910	3.189	50	40	JGGB	
COc1cc(C(=O)NNC(=S)NCCCc2ccccc2)ccc1I	408588669	XPIQZHOKJGAHKM-UHFFFAOYSA-N	469.348	3.042	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408786515	RUJOFZNNPMHYDY-PCLIKHOPSA-N	454.527	3.237	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C	409160564	RMJUUURHNYUOFL-BRJLIKDPSA-N	489.370	3.060	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc(Br)c1OC	409183067	ACBSZAQRYWNISP-YDZHTSKRSA-N	462.344	3.062	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1	409184588	MFPJTDQCFWNSRE-LPYMAVHISA-N	453.948	3.054	50	40	JGGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2)cc1	409263025	GPTDZFPCQKLQEI-STBIYBPSSA-N	488.544	3.178	50	40	JGGB	
CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1	409327160	QLQZFSRMHMYHIP-OALUTQOASA-N	479.986	3.126	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1	816973	XVBNAQSCAWSKAL-UHFFFAOYSA-N	492.557	3.062	50	40	JGGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(O)c(I)c1	881120	MPAIVZRJPAZGOS-CNHKJKLMSA-N	475.626	3.088	50	40	JGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	3145866	ZUMTVBFYJVHNHB-YDZHTSKRSA-N	464.390	3.251	50	40	JGGB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	8819420	JHHOJLYUCXMMBT-YVLHZVERSA-N	491.978	3.020	50	40	JGGB	
O=C(NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccc(Cl)cc1	9591394	FTUGJJGBBAKYTD-YJBOKZPZSA-N	481.307	3.396	50	40	JGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	20211000	NKFKNSZRTANAIZ-WYMPLXKRSA-N	457.474	3.409	50	40	JGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1	28214976	WYISQEHWKDPPMB-OPQFETBVSA-N	459.502	3.233	50	40	JGGB	
C[C@@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	103012464	JLZLWNGCXISZCS-IFQOCWFZSA-N	488.769	3.074	50	40	JGGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408541210	CAHSOWMMNNVVSC-NSIKDUERSA-N	489.278	3.253	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2ccccc2Cl)cc1	409062814	BGCNDEYVPGGQGX-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	409163640	VKMURPIJUJNMSR-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409262468	FDPIEJQEWSJYKA-OPEKNORGSA-N	493.347	3.138	50	40	JGGB	
C/C(=N/NC(=O)CCCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	13553016	WLMDKBJORIDZRC-OQRYGUKSSA-N	454.443	3.054	50	40	JGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1	16691592	LEDAFXROIDHGFO-FIKYGGOLSA-N	457.474	3.409	50	40	JGGB	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F	16782510	IBAKJTIGKFKAON-QGZVFWFLSA-N	498.671	3.114	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	20493144	XNBGBHZJYSNAKI-LFVJCYFKSA-N	482.518	3.339	50	40	JGGB	
O=C1NC(=S)NC(=O)C1=CNc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O	95925659	DTRZNUAOIXBLCS-UHFFFAOYSA-N	475.507	3.128	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1OC	408862096	IFJGDODSWGVNHR-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(O)c(OC)c2)c(OC)c1	408865313	AGYUIWDBAHADCU-MKMNVTDBSA-N	494.285	3.246	50	40	JGGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1	409318507	YLPIXGYKZTYNKR-HZPDHXFCSA-N	487.361	3.426	50	40	JGGB	
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1	2619986	XXTVJVNZEOWBDR-UHFFFAOYSA-N	491.504	3.355	50	40	JGGB	
Cc1cc(C)c2c(N)c(C(=O)NNC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)sc2n1	9468149	HWMCXACPYMXABI-UHFFFAOYSA-N	476.562	3.006	50	40	JGGB	
N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	16039167	ZJTGAWMXWZCBPC-MXEMCNAFSA-N	474.860	3.267	50	40	JGGB	
Cc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	36254018	HLNFAKBODYQHFJ-CPGLPWGESA-N	490.432	3.045	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)NNC(=O)c1ccccc1	408645992	NVDOXQYLXLOLLD-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	408856193	BKKFKHWHXQLECU-PCLIKHOPSA-N	452.536	3.105	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1O	409006419	NSVOMRRQWZRVFT-VULFUBBASA-N	485.537	3.190	50	40	JGGB	
CCOc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1	13805325	QTRDMQHYFIQQKZ-MFKUBSTISA-N	492.565	3.386	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1	19954983	OGCRDGNAPLUUOB-KGENOOAVSA-N	468.373	3.154	50	40	JGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cc4cc(C)ccc4nc3O)c(C)c(C#N)c2=O)cc1	409051425	ACSCRFRJDGQQIL-WKIKZPBSSA-N	452.474	3.047	50	40	JGGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O	2176275	XDYHHCIZHTXNLS-FSJBWODESA-N	467.975	3.300	50	40	JGGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(I)cc1	10476074	OALXCOTWMDKQSB-REZTVBANSA-N	490.051	3.431	50	40	JGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1OC	12275167	TWUYYUIZWFSVES-LMKMVOKYSA-N	498.557	3.373	50	40	JGGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc(OC)c1OC	12275499	QODNCGRRPKQFAF-HJPURHCSSA-N	456.495	3.495	50	40	JGGB	
COc1cc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc(OC)c1OC	12561309	ZZNNWCYWCZXSSC-LFVJCYFKSA-N	475.567	3.041	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1	408612028	TZBZKPDRWAATSN-RWPZCVJISA-N	465.481	3.188	50	40	JGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	408750137	XQKAANGQJZDNBQ-OEAKJJBVSA-N	469.475	3.443	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(C)C)cc1	408765659	XBHZRTXVOJHKRD-FDCKDHBTSA-N	483.546	3.406	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1	408849917	AWOMULPCFNHXOR-JXAWBTAJSA-N	486.484	3.257	50	40	JGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccccc3C)o2)c1	409156546	GHFHEAUXLICZFR-MZJWZYIUSA-N	463.490	3.077	50	40	JGGB	
O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NNC(=O)c1ccc(Br)cc1	8825950	OQTIADSYFADNJR-UHFFFAOYSA-N	488.250	3.235	50	40	JGGB	
O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccncc1	33247765	LRXNWABWSVVWNS-CLCOLTQESA-N	456.344	3.158	50	40	JGGB	
CCN1C(=O)/C(=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc21	101088233	BKTXHBDUWNPPAU-XAYXJRQQSA-N	471.542	3.320	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccccc1C(=O)O)Cc1ccccc1	108038927	JQAXHHLLZAKKRS-YSMPRRRNSA-N	495.557	3.043	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc([N+](=O)[O-])cc1	408754252	JNKVVYMWVMYLGL-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1O	408981988	XBSCZMDEAHKDDW-WGOQTCKBSA-N	497.573	3.141	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(F)cc2)cc1	19956184	UEJNJABAUKCSOZ-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1	58882614	FNQSTUPTJDRRJU-YSMPRRRNSA-N	463.490	3.494	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)c2ccccc2)cc1	408784045	QUKMLKJGRGDSOL-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I	408788866	GCDAZRDRJMNCTL-MDWZMJQESA-N	478.242	3.094	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1cccs1	408860813	FRJCQNVJDRZYSW-RCCKNPSSSA-N	458.521	3.392	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC	408970189	CHPFKANJSNRUBJ-RWPZCVJISA-N	466.513	3.059	50	40	JGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OC	409141391	JPATUVPRWRJACA-QGZVFWFLSA-N	479.318	3.428	50	40	JGGB	
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNc1nc(O)c3cnn(C(C)(C)C)c3n1)O2	1146388999	LQVIQADASGUZDQ-QHCPKHFHSA-N	454.531	3.145	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)ccc1OS(=O)(=O)c1ccc(C)cc1	8826062	UPPICICEGVDSJG-MFKUBSTISA-N	478.530	3.491	50	40	JGGB	
N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	9328139	GWBSQMYTUMOVDU-ZPHPHTNESA-N	455.301	3.277	50	40	JGGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1OC	10215746	LSYLWHKABPELIF-UHFFFAOYSA-N	497.935	3.127	50	40	JGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Br)c1	16226499	YGPNQPRROKSXDS-DJKKODMXSA-N	455.106	3.309	50	40	JGGB	
CC(=O)Nc1ccc(/C=C\c2ccc(N=C=S)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1	17126066	YJCCSLGGODRWKK-IHWYPQMZSA-N	454.507	3.043	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1C	33858009	OMZHRICTQLXXGY-MYYYXRDXSA-N	496.545	3.253	50	40	JGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1	408746040	QJOGOFBANUCQPT-QPEQYQDCSA-N	461.268	3.475	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)CNC2CCCCC2)cc1OC	409383521	WDYADGOJFSGRKJ-SRZZPIQSSA-N	459.328	3.071	50	40	JGGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc2ccccc2c1Br	2134509	WOJSCWCELOIJMI-UHFFFAOYSA-N	474.267	3.116	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2	2255186	LLGYTUKZEXXIGW-QFIPXVFZSA-N	452.555	3.124	50	40	JGGB	
Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(C)c1C	10071119	WDVICLIVKIEGGD-UHFFFAOYSA-N	496.589	3.282	50	40	JGGB	
O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccc(COc2ccccc2)o1	12753582	DRTQZVJZFBMIBA-UHFFFAOYSA-N	451.298	3.244	50	40	JGGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	15014196	SLWGGVDWSDLWPV-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1OC	19956134	OSJDJTLFVYACCB-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2F)cc1	20499729	BTANVCRKGDWAJI-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)c(C)cc1=O	39996848	AYIFVBVXHPHAEI-INIZCTEOSA-N	454.914	3.040	50	40	JGGB	
COC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408638298	QXWWLKHNFBECNJ-APWZRJJASA-N	461.873	3.389	50	40	JGGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1	408647562	UZZGICMEBIWJSK-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408781030	QDYCOUSHVMMPBK-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)c(OC)c1	408883477	PWMCVMPEWZNVLP-VIZOYTHASA-N	475.295	3.153	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)ccc1O	409023405	VKWVVWFJMUXYIX-UFFVCSGVSA-N	460.339	3.014	50	40	JGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cc(Br)cc(Br)c1O	409063876	FAZZALAOUIDELG-UBKPWBPPSA-N	459.050	3.295	50	40	JGGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OCC	409066854	XAPXEKHILWEDJZ-GDNBJRDFSA-N	470.307	3.244	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	409155045	PKLQXCIFKGZKCS-RDRPBHBLSA-N	472.545	3.076	50	40	JGGB	
O=C(N/N=C/c1ccccc1Br)[C@H]1C[C@@H]1C(=O)N/N=C/c1ccccc1Br	826147	ZJPKQTZFTSHLKO-HXOUYUJPSA-N	492.171	3.448	50	40	JGGB	
CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1	2366897	GIZJNGZSUBQGLW-DAFNUICNSA-N	484.398	3.439	50	40	JGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccc(I)c2)c(OC)c1	13562705	QXKXOGYYHFCMFI-WSDLNYQXSA-N	481.290	3.443	50	40	JGGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	16575224	KPSAXURSDYTWTN-ZROIWOOFSA-N	466.357	3.200	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccc(C)cc2)cc1	19956538	WHQAQRQNNZGRPT-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1	20197948	CNXRXTZEUDBYQX-SSDVNMTOSA-N	465.300	3.474	50	40	JGGB	
CCOc1c(I)cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	33548034	NCEAIVVUQJOMKK-RGVLZGJSSA-N	483.262	3.300	50	40	JGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	105316233	CFYSUMHKORRCMQ-UUYOSTAYSA-N	479.361	3.394	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1C	408606956	BHXSQWFYFCCPIG-KKMKTNMSSA-N	482.924	3.334	50	40	JGGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1C	409000707	FNUIBIXZIRVFIR-BXPUGBIQSA-N	458.522	3.198	50	40	JGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1)S(C)(=O)=O	409139291	ABCMTLUWOQIXMB-MFKUBSTISA-N	465.531	3.423	50	40	JGGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c1	1433541	MVMMUALTIFMQMK-IFRROFPPSA-N	457.122	3.493	50	40	JGGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)C1CCCCC1)c1ccc(F)cc1	9256431	JEMPKYXITNDRKI-JOCHJYFZSA-N	450.514	3.376	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1	20102463	MTXRGKMEPSGPQB-SLEBQGDGSA-N	496.976	3.341	50	40	JGGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1	20934271	PPBGPUFBYPVQGC-VULFUBBASA-N	489.605	3.389	50	40	JGGB	
CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)CC(C)(C)N1	95626287	KBOFCGCNLLOUNO-UHFFFAOYSA-N	464.459	3.194	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1C	409157852	WOALPGMFIITXRY-BRJLIKDPSA-N	474.945	3.039	50	40	JGGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C4\C(=O)Nc5c(C)cccc54)c(=O)c23)cc1	1784706	UDSYKHRXRCQYKQ-UHFFFAOYSA-N	457.515	3.214	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNS(=O)(=O)c1ccccc1	2203640	PETTVNVYQMPXLU-LGMDPLHJSA-N	496.035	3.331	50	40	JGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	2249174	RFGMHFCBLOQVRM-QFIPXVFZSA-N	452.555	3.124	50	40	JGGB	
O=C(NNC(=O)c1cc(F)ccc1Br)c1ccc(CS(=O)(=O)c2ccccc2)o1	12737306	JTRDMCCBVODCJB-UHFFFAOYSA-N	481.299	3.230	50	40	JGGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccccc1Cl	59247121	BDKKNNLWQSZDPZ-YSMPRRRNSA-N	457.958	3.438	50	40	JGGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cc2c(cc1Br)OCO2	101056995	LCTFNUFOCMNEJF-NUGSKGIGSA-N	452.264	3.442	50	40	JGGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408864003	SFHDZTQLOQPNNK-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c1C	2393493	BBONKYVCQJKGLL-UFFVCSGVSA-N	476.404	3.320	50	40	JGGB	
CC(C)c1c(C(=O)N/N=C/c2ccccc2OCc2c(F)cccc2Cl)nnn1-c1nonc1N	2397437	WRMFVKMZPAQCCB-NSKAYECMSA-N	498.906	3.491	50	40	JGGB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	9167425	KEQTVCQROIOVML-FQEVSTJZSA-N	461.547	3.108	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2cccc(C)c2C)cc1	9891935	IGDPINFNLCHMTE-UHFFFAOYSA-N	476.558	3.280	50	40	JGGB	
COc1ccc(/C=N/NC(=O)[C@H](NC(=O)COc2ccc3c(c2)CCCC3)C(C)C)cc1[N+](=O)[O-]	12465278	SQIRDSUGJRPZIY-DXPRYJPLSA-N	482.537	3.152	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccccc1Br	20214101	VYNUHVIXCKMTNV-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
COc1cc(/C=N\NC(=O)CC2(C)SCCS2)cc(I)c1OC	32116894	JOUIVNZIBYCRGK-MFOYZWKCSA-N	466.366	3.345	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCC(=O)O	408569253	MNGRSSWRSNKGJX-SSDVNMTOSA-N	462.549	3.166	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)N2CCCC2)ccc1OCc1ccc(Br)cc1	408718249	FQVRJMJXMRQZAO-YDZHTSKRSA-N	460.328	3.109	50	40	JGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2Br)cc1	408753116	LNDKXAXGYZIMJW-SFQUDFHCSA-N	491.363	3.291	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)cc2)c1	408776779	ZALUPAHYSDCMCJ-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(I)cc1	408780767	JYKIAZKJOIEJOR-RCCKNPSSSA-N	499.374	3.214	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC	408869670	SYWNGLFZFCTSSE-YDZHTSKRSA-N	465.959	3.138	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(OC)cc3)c3ccccc32)cc1	2348609	QMBSNNMYTNCDIW-VHXPQNKSSA-N	466.497	3.445	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNC(=O)COc2ccc(C)cc2)ccc1OCc1ccc(F)cc1	22715947	XZJZHUPEHLWJLL-IPPBACCNSA-N	479.508	3.367	50	40	JGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	27601019	AOJYIXYPNRQTNL-UHFFFAOYSA-N	479.489	3.048	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccccc1Cl	408668503	UEBKWVKZRGPAMP-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	408965006	FKMHHIBRXZMNKL-PDGQHHTCSA-N	450.520	3.296	50	40	JGGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408969901	WNZZHDPSBNDBJT-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1	409115933	JVZIPXDQOXRXJM-MFKUBSTISA-N	455.511	3.321	50	40	JGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	12759668	IIGGPBBSEPKODA-UHFFFAOYSA-N	452.901	3.303	50	40	JGGB	
COc1cc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC	36020559	ULNBZPVIJVTHRR-NTFVMDSBSA-N	461.518	3.111	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408908171	UNQNOXCTVKDVKM-WGOQTCKBSA-N	495.557	3.136	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(C)cc2)cc1	408913252	SISHCUOCTUYYCG-XIEYBQDHSA-N	467.547	3.445	50	40	JGGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)[C@H](C(=O)OC)C(=O)N2)cc1	409134965	QIDTVHJDZLYMPH-SFTDATJTSA-N	465.531	3.195	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1)Nc1ccccc1Cl	409157106	PXXWFOIXRJEHAF-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c(Br)c(Br)c1O	9934847	QIVSMXRMMDOUML-SWNXQHNESA-N	472.089	3.418	50	40	JGGB	
CC(C)Oc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC(C)C)cc2)C=3C#N)cc1	12401640	HZWPZAQJQHBFOE-WRPBSQTBSA-N	498.608	3.436	50	40	JGGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	19859289	VIHOYUAYNZSBGX-IBGZPJMESA-N	461.349	3.014	50	40	JGGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	33045604	RBOMZNYCPWETLU-CVKSISIWSA-N	483.546	3.342	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)Cc2ccccc2)cc1OC	59515848	BZTCEPUDVMFCHX-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccc(Cl)cc1	408731902	QPNQSOPFGGOXMD-UFFVCSGVSA-N	478.759	3.899	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)C(C)C)cc1	408757824	CSHKEBJAFZFJEK-BHSKHCGUSA-N	483.546	3.260	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1	409251264	PCZFLRZZINVAKS-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	409259576	AWKUTHJWZUAZJA-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770428	YIMFZXBGLUBLDI-QUCCMNQESA-N	492.532	3.283	50	40	JGGB	
CCOc1cc(C(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc(OCC)c1OCC	3864923	UMQHSARBPJFSFW-MZJWZYIUSA-N	452.511	3.244	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CSc1nnc[nH]1	9120010	CXSOWIDHPYMDCF-DHRITJCHSA-N	471.539	3.285	50	40	JGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)n1	14166478	LUXKVUHRCKVUSC-JFLMPSFJSA-N	477.590	3.074	50	40	JGGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	19859291	FDKJBETYIROJAG-LJQANCHMSA-N	461.349	3.014	50	40	JGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(C)(=O)=O	20212744	OKQKNRVWMUKILK-UFWORHAWSA-N	462.753	3.229	50	40	JGGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	58881288	JWCBOURIDIRCNI-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408607632	NLQLHYWOPPFKDN-WYMPLXKRSA-N	482.762	3.284	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccc(C)cc1	408774749	CVIQQWUUVZZCNW-WGOQTCKBSA-N	497.573	3.454	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(OC)c3)S(C)(=O)=O)o2)cc1	408872296	CPYWEVPSHGMFFO-MFKUBSTISA-N	499.545	3.048	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)cc1	408923075	IZPCTZDTGUTDNG-BUVRLJJBSA-N	467.503	3.185	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409257788	SFZWCZCGTYYARU-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1	19950769	DGDDUUZVDFURHK-YZSQISJMSA-N	495.557	3.356	50	40	JGGB	
O=C(CCCCCNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccccc21	95351720	UQERDMRMWKXMAF-UHFFFAOYSA-N	457.328	3.212	50	40	JGGB	
O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccc(Cl)cc1	102280889	RYOJQYOPUIGWBH-CJKMCJCZSA-N	469.763	3.378	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OCC(=O)Nc1ccccc1C	408608275	HAACRFUWVSTNAH-MZJWZYIUSA-N	478.480	3.249	50	40	JGGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc(OC)c1OCC(=O)O	408848006	XRBCSRPIDSJZLF-MWPUVBFLSA-N	457.490	3.095	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1	408922412	AOELVGBHTFRXBH-HADWXUJASA-N	468.373	3.153	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccccc2F)cc1	409004927	GFPMURUTISSHBN-AFUMVMLFSA-N	455.511	3.181	50	40	JGGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	409144936	QOKVGRQIAQEHFJ-ZRESEXGQSA-N	455.580	3.300	50	40	JGGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	409311844	BSFPXCJHDLDLQS-UUYOSTAYSA-N	494.285	3.093	50	40	JGGB	
CCCN1C(=O)/C(=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21	1783777	SIWJOEPHJJDUHE-ZLMPUZFUSA-N	463.563	3.175	50	40	JGGB	
CCn1c(SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)nnc1-c1cccs1	3431499	WIDSQCYRCFOLQF-UHFFFAOYSA-N	451.961	3.242	50	40	JGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1	9292228	UKXIQNKPLCNAFV-WQQBQYIPSA-N	478.574	3.263	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	9660219	KHEFCOMSWHMJLA-OEAKJJBVSA-N	467.975	3.298	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(C(=O)OC)cc3)cc2)cc1	12564217	QKDNLOXGWPQLCF-JQMRRPHZSA-N	458.474	3.470	50	40	JGGB	
N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	12629876	XWBXXDFIKAOUEG-UHFFFAOYSA-N	488.344	3.012	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1O	19926408	GQSNVOFBORDXRV-MFKUBSTISA-N	483.546	3.063	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1	20493171	IVEFAYLXLPZSLW-PCLIKHOPSA-N	481.530	3.129	50	40	JGGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCN1C(=O)COc2ccccc21	20899572	SBYWCPNYILTBKW-UHFFFAOYSA-N	466.321	3.116	50	40	JGGB	
O=C(CCCC(=O)NNC(=O)Nc1ccc(Cl)cc1)NNC(=O)Nc1ccc(Cl)cc1	104081949	CBSZFOGDAOBFTB-UHFFFAOYSA-N	467.313	3.169	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)NNC(=O)c1ccc(Cl)cc1	408662506	JEYXCKMLEPFERS-UHFFFAOYSA-N	471.819	3.082	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2)cc1	408784218	URWRTKVRIXYUAK-BUVRLJJBSA-N	451.504	3.039	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(N)=O	409226287	UNSWPQSNRQMPCL-VGOFMYFVSA-N	491.285	3.018	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccc(F)cc1	409268033	YWVYCMLWXWGYEX-LGJNPRDNSA-N	452.417	3.071	50	40	JGGB	
CN(Cc1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)nnn1-c1nonc1N)C1CCCCC1	9308142	YHEZMXUSQGLZLR-YSURURNPSA-N	492.371	3.068	50	40	JGGB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4cc5c(cc4s3)OCO5)cc2)C1	9381952	VZKHVRSAURYGLX-CYBMUJFWSA-N	474.564	3.203	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OCC	20212021	ALOIJMMNKIBTIF-ZVHZXABRSA-N	498.001	3.452	50	40	JGGB	
O=C(C[n+]1nn(/N=C/c2ccccc2)c(O)c1C(=O)N/N=C/c1ccccc1)c1ccc(Cl)cc1	33436117	FYGYUOKGOQIBOR-LQKURTRISA-O	487.927	3.059	50	40	JGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	408788245	CXOMGMYJXUSQQU-RCCKNPSSSA-N	452.374	3.340	50	40	JGGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1	409028895	SQPINPIJACPIAV-MFKUBSTISA-N	496.545	3.399	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1	409155784	NDLRMNXFNVFZDO-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccccc1Cl	409158082	XODAXPVAKMLDBA-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)c(C)c1	409166221	CSAVQSABVRKBLM-RPPGKUMJSA-N	458.946	3.197	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	409176077	YDBUERACONAMEJ-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1	409253832	VNGNHAWRBMXKFS-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1	409261627	CCSDMSBBBSDKDM-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(Br)cc3)n2C)cc1	676422	VMSOJPCGHKNITL-UHFFFAOYSA-N	460.357	3.106	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc2c(c1)OCO2	2067895	VWBFHMUVBRAWCV-OPEKNORGSA-N	462.414	3.136	50	40	JGGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3cncc(Br)c3)cc2)cc1	3258358	TXNGMUWGWJVARZ-UHFFFAOYSA-N	451.280	3.223	50	40	JGGB	
Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CC(C)C)c2)c1	10160938	PPDVUDXTSUEBRH-UHFFFAOYSA-N	468.373	3.365	50	40	JGGB	
COc1ccc(C[C@@H]2S/C(=C(\C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1	11690310	IMILJOMWXJIGKL-BJMRFWQKSA-N	458.337	3.369	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059841	BRPGTNVSNDGUDS-YZSQISJMSA-N	480.590	3.415	50	40	JGGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	408529863	KHOYVXDKARZAPY-BRJLIKDPSA-N	451.405	3.012	50	40	JGGB	
O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)NNC(=O)c1ccc(Cl)cc1	408673111	YSHDRIPVWVTCJK-UHFFFAOYSA-N	465.937	3.347	50	40	JGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408775167	OPALXLNPZKGFNR-CVKSISIWSA-N	483.521	3.405	50	40	JGGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1	19852784	MADHSJGAYLGOTF-NRFANRHFSA-N	491.548	3.107	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)c2ccccc2)cc1	19955705	RZPUVIJJKIUZGY-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1	20209162	CHMPWMPLXOQPTG-FSJBWODESA-N	461.609	3.221	50	40	JGGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	2402182	GQDRMPZRVSAQHR-HMMYKYKNSA-N	492.557	3.030	50	40	JGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O	8843180	JOQCBXDNIJJLQP-RCCKNPSSSA-N	452.374	3.340	50	40	JGGB	
C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N/N=C/c1cc(Br)ccc1O	9305983	GJBJBBGKSPURAK-HZZGJGATSA-N	474.355	3.067	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	19816752	FGJNLGAWCQMVQQ-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3cc(Br)ccc3O)c3sc(=O)[nH]c3S[C@H]21	245241398	CRVRIWAGIWPONO-UDONIMFZSA-N	480.361	3.092	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1	409150656	DFYOJHXHMJAAFL-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409153047	CKFKTUGWSAEOJQ-OPEKNORGSA-N	495.363	3.384	50	40	JGGB	
O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1	2662544	JSUAMMAJRSRCPS-UHFFFAOYSA-N	451.910	3.353	50	40	JGGB	
CCC/C(=N/NC(=O)C(N)=O)[C@H](CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1	5889442	TXLBRGLHDVCRNH-HYCNUJHSSA-N	478.593	3.349	50	40	JGGB	
COc1ccc(-c2cn3cc(C(=O)NNS(=O)(=O)c4ccccc4Cl)ccc3n2)cc1	8855364	SZRNKKLIFQKWSP-UHFFFAOYSA-N	456.911	3.287	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1	12589869	IMSOHYSIMFNPBT-YZSQISJMSA-N	450.506	3.105	50	40	JGGB	
CCOc1ccc(C(=O)NNC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1OC	12693628	BZOYQXOURXCMAZ-UHFFFAOYSA-N	455.540	3.175	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1	16693446	QCDTUSYEPKPHCZ-YZSQISJMSA-N	494.573	3.389	50	40	JGGB	
CC(C)(CNC(=S)Nc1ccc(N=C=S)cc1)NC[C@@H](O)COc1cccc2c1CCC(=O)N2	39183956	PWUNHJNWACAPMM-GOSISDBHSA-N	499.662	3.400	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccncc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100768403	IQAVHFGHPQBDFZ-GHZLVZEESA-N	474.554	3.229	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(OCC#N)cc1	408724848	BSKYHXOAEUFWRL-ONUIUJJFSA-N	462.531	3.319	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1OC	408782625	XQCFXTSBYNCUQU-YSURURNPSA-N	493.891	3.292	50	40	JGGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408935454	FNBIIVWEJNLZCO-ZVHZXABRSA-N	487.379	3.185	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1	409163050	LDUAHTKMGAMWHQ-BRJLIKDPSA-N	465.337	3.377	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	409186042	VRWGTMBLCLQJAM-NLRVBDNBSA-N	465.575	3.387	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1	409259168	XUYKVXBUVVZVPX-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
CSc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(SC)cc2)C=3C#N)cc1	13739183	FUXCMQMLIWQMIT-TUJQNWBVSA-N	474.636	3.305	50	40	JGGB	
O=C(NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cc(Br)c[nH]1	24124044	YELVZKKILZPLKI-UHFFFAOYSA-N	469.339	3.244	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(Br)cc1	408908652	XFEUNHGJXUJFFG-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	890502	ULFWUXJYABPDGS-CUPKDKKMSA-N	497.599	3.192	50	40	JGGB	
COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc12	9381919	QAIZSYBFONKVEO-CQSZACIVSA-N	490.607	3.491	50	40	JGGB	
COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cccc(I)c2)cc1	13381847	VMJRVCYNGUIEQE-LPYMAVHISA-N	465.291	3.363	50	40	JGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1	19948224	KOKGNTFGDORSRG-AFUMVMLFSA-N	465.531	3.378	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1cccc(Br)c1	408783547	MUAVKPPOVPWRMX-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c(OC)c1	408876843	RFHKSOYJNYOFFZ-CVKSISIWSA-N	498.605	3.336	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1	408893100	FJAGNIWAEKHSEW-OEAKJJBVSA-N	485.474	3.144	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OC	408964228	CFIRXMXSIHNFSR-ZVBGSRNCSA-N	453.211	3.083	50	40	JGGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1	409217765	BHIQXXYPYXVEDU-KSEXSDGBSA-N	478.373	3.215	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1	409255296	HSEIUAXHCSNIRT-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
O=C(CCCC(=O)N/N=C/c1ccc(Br)o1)N/N=C/c1ccc(Br)o1	2359432	IAWYULIALXQMKS-GCBPPVMSSA-N	474.109	3.168	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccco1	8452148	IYDMATBYCQDXBF-BRJLIKDPSA-N	482.518	3.267	50	40	JGGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)CNc3ccc(C)cc3C)c2)cc1	9546200	JAIQUSIKUCTMSG-UHFFFAOYSA-N	466.563	3.286	50	40	JGGB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H](c2ccccc2Cl)C(C#N)=C1N	20459004	RKDNVQSAAUJHKB-DGKKPVBHSA-N	498.391	3.099	50	40	JGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	58884406	BEIHWCFHKGLAQW-WKTMJKCCSA-N	488.544	3.430	50	40	JGGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1	58914142	GTBMOBSWETXMJQ-RHANQZHGSA-N	492.576	3.319	50	40	JGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)c(C)c1	253487026	CXFRDMWUCFEAGE-LDVJMBRRSA-N	468.469	3.230	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1OCC(=O)O	408808865	GHPDZMNFTMWMFL-VUMOSAOLSA-N	498.317	3.365	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C	409161986	YCQKCUFPCJKBJN-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)c1ccc(OC)cc1	898557	NJEFWVWMFBXJHQ-UHFFFAOYSA-N	475.958	3.092	50	40	JGGB	
O=C(COc1cccc(Cl)c1)NNC(=O)c1cc2cc(Br)ccc2oc1=O	994384	RTSVFGMPHZFONZ-UHFFFAOYSA-N	451.660	3.049	50	40	JGGB	biogenic,in-vitro
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1C#N	2298200	PWNHYHSLHCINEJ-OPEKNORGSA-N	463.450	3.414	50	40	JGGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1I	12289569	ACJGKIXOCCXRJM-UHFFFAOYSA-N	473.723	3.202	50	40	JGGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)c1	15913220	PVLSOIGDMNVRAC-UHFFFAOYSA-N	480.571	3.288	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16186371	QHWZXDZNOXNKAW-LGUFXXKBSA-N	464.591	3.136	50	40	JGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(C)(=O)=O	20212524	PSFDEFXJZLDIEE-UFWORHAWSA-N	462.753	3.229	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F	409170395	VCCUILFWBKGPRO-UVHMKAGCSA-N	464.444	3.089	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)cc1	409171130	ZGCNZKYSSNUPKS-RDRPBHBLSA-N	472.545	3.076	50	40	JGGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])ccc1OC(C)=O	409226646	VOVHMTFJRPTIMC-MXAYSNPKSA-N	493.428	3.217	50	40	JGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1	409254772	FVESAJZACFJFRS-RDRPBHBLSA-N	486.528	3.035	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1	409267899	PTJPCWJMFCJDHX-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)cc1OCC	409319866	MWPGZMWLTBRJJK-MSXFZWOLSA-N	478.343	3.265	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1OC	1960412	AGKDGYBZHPOFJX-WSDLNYQXSA-N	495.317	3.486	50	40	JGGB	
COc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(OC)c1	6166316	TVNPYTGOUYVZKT-ZFMDAARKSA-N	454.552	3.311	50	40	JGGB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3OC)C2=O)c1	8819219	VJNNANCJGQEVRD-RGEXLXHISA-N	485.587	3.146	50	40	JGGB	
O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1	8958798	XFAQPMWUMIVNNA-HSZRJFAPSA-N	496.523	3.334	50	40	JGGB	
COc1ccc(CCC(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	10030848	RYPDTNGMIFIIBB-UHFFFAOYSA-N	495.601	3.218	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC	19926406	JGMAYUSTAWAALV-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408775482	HPJRVHZAYLADTH-CVKSISIWSA-N	485.537	3.497	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccccc1O	408779261	SYKCNHUUKFWODH-XQNSMLJCSA-N	468.491	3.036	50	40	JGGB	
N#CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I	408789138	JRRQJZSGARDQHS-JXAWBTAJSA-N	498.324	3.449	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1OC	409063721	BLMNZWODPFMVFZ-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
Cc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br	1801250	BFFLUVFRUWIIDA-UHFFFAOYSA-N	472.133	3.125	50	40	JGGB	
Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc(C)c1Cl	2135976	NQBJARMLBCJDRE-UHFFFAOYSA-N	470.776	3.434	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1O	6166417	PBQKWNLPRXQBRO-DRMHXQABSA-N	454.552	3.398	50	40	JGGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2cccnc2)C1=O)=C\c1ccccc1	8820603	BIBHXTVBNIWLOQ-WXEMXXEISA-N	466.588	3.471	50	40	JGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)NC(=O)COc3ccccc3)c2C)cc1	9264727	OROGSABHCNELDP-DVQSINOTSA-N	490.560	3.305	50	40	JGGB	
O=C(NNC(=O)c1ccccc1Br)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	12875995	YUWRMVNWCBCDGM-UHFFFAOYSA-N	477.322	3.226	50	40	JGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC	16184137	MGLNMTNRYSHYQV-WGOQTCKBSA-N	453.539	3.224	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCC	409375746	OUFAUXKUCAGDFI-WSDLNYQXSA-N	473.355	3.461	50	40	JGGB	
O=C(CCC(=O)Nc1ccccc1I)N/N=C/c1ccc([N+](=O)[O-])cc1	2752484	NWAVYBIONNCNOH-YBFXNURJSA-N	466.235	3.068	50	40	JGGB	
COc1cc(/C=N/NC(N)=O)cc(I)c1OCCOc1cccc(C)c1	9659336	NRVPWSZFJVHBEN-SRZZPIQSSA-N	469.279	3.068	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(I)c1OC	33480303	DGEHOIJLGACBEN-KEBDBYFISA-N	467.263	3.031	50	40	JGGB	
O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NNC(=O)c1ccc2c(c1)OCCO2	69948276	UXSFAGKJYXTRIK-UHFFFAOYSA-N	471.469	3.460	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccc(Br)cc1	408607971	GDGGUBTWYUEZRY-FSJBWODESA-N	460.328	3.156	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OCC(=O)NCc1ccccc1	408612173	UJEDIZNGVNFTNN-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)c1	408683953	MOAXTBXAGXWGHP-MUJBESKKSA-N	485.334	3.457	50	40	JGGB	
O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408685629	PNOBDQPCYSTINY-RFPOMQOQSA-N	499.317	3.147	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408964208	BYWXMLUFXMYOKZ-LIMNOBDPSA-N	468.666	3.429	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2sccc2C)cc1	408978819	KLOJPCWDLUUNER-LFVJCYFKSA-N	471.604	3.449	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)cc1Cl	409174515	MZAIQBWXXQFIBZ-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409254643	JBQFRUQXMKRROO-KIBLKLHPSA-N	493.347	3.057	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccc(F)c1	3102400	GJOSXVHJHWTTNF-DHRITJCHSA-N	467.409	3.491	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	4091529	CXMLOFOBHRBMRP-BRJLIKDPSA-N	454.836	3.284	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(Br)cc1	8826746	RHFUOPSQWPEYBJ-UDWIEESQSA-N	458.765	3.409	50	40	JGGB	
Cc1ccccc1C(=O)NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	8927465	OWMWWAHVYKJPAA-QFBILLFUSA-N	460.889	3.051	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	16186857	HRCMGWQGKXAXHA-FSJBWODESA-N	486.377	3.338	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	16186974	VQTKCYMXARQNEP-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1OC	19950254	KOWHTVBEOFRNKI-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1O	20059990	QTEDFAGAIXAOFL-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCC2)cc1	59443754	ZLJWZOPSIKEJJO-UHFFFAOYSA-N	470.595	3.315	50	40	JGGB	
O=C(N[C@@H](C(=O)N/N=C\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	83323811	LOLLBPPCWUFRJZ-UNWJGFBESA-N	451.486	3.210	50	40	JGGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(I)cc1	98053319	UMNXOOYYQXPPLV-QPEQYQDCSA-N	476.226	3.109	50	40	JGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccco1	408765418	VVULJRYFULDGQU-RGVLZGJSSA-N	494.279	3.482	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2OC)cc1OC	409011612	NXMYSRSLYHJSOK-DICXZTSXSA-N	493.516	3.259	50	40	JGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O	409048390	OKPMOHYGDMVVCI-CNHKJKLMSA-N	473.077	3.224	50	40	JGGB	
COc1ccc(O)c(/C=N/NC(=O)CNc2ccc(Br)cc2Br)c1	1434365	GBUSDQBEHXEBMY-DNTJNYDQSA-N	457.122	3.488	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	8780796	KTXPSZKPCMGPST-WSDLNYQXSA-N	461.316	3.425	50	40	JGGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1OC	14244396	VBMLKYFRQOQCMB-UHFFFAOYSA-N	476.599	3.331	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cc(C)cc(C)c2)cc1OC	19956323	IYJPOFWWTKVYGV-CVKSISIWSA-N	497.573	3.372	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)o2)cc1	20211945	IYBYBYUCCHPZBA-AFUMVMLFSA-N	487.509	3.179	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OCC	20213838	SSWIWDWXBQAWKP-BUVRLJJBSA-N	459.568	3.183	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccncc1	408729165	AXPYGRLNBRAGNA-KEBDBYFISA-N	460.317	3.032	50	40	JGGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)cc1	408981968	WWOIJIZNDPWZCT-YYHBXHNPSA-N	452.511	3.149	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1	409152568	JJQAMBUUGQLNFT-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OC	1455392	JYGLKWBWKJILIN-QHCPKHFHSA-N	459.502	3.449	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1F	3327640	RYRJNJIFVUUGDP-XFBJJFJZSA-N	450.422	3.344	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)ccc1O	19948073	LIYNGYUAYHVFRK-BUVRLJJBSA-N	453.520	3.055	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	58881368	MOOVKQGEHMCDPF-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408601529	BGORYSDPGLIAGA-BRJLIKDPSA-N	468.337	3.184	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	408843380	FCUPGWUOKOIYPA-UEIZDATPSA-N	465.959	3.051	50	40	JGGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1	408869665	QGXCJPLXAXBGAT-OEAKJJBVSA-N	467.975	3.444	50	40	JGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1	408899729	QQBVXTXSYJQHPR-OEAKJJBVSA-N	485.474	3.144	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(C)=O	409224582	LGFMJNNXIVMLFI-UHFFFAOYSA-N	461.474	3.256	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1	409258050	SWNVNZVVUZOVNR-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	3147597	FTVXVUWNXRXUGY-DNTJNYDQSA-N	453.090	3.318	50	40	JGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NN[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O	3346344	ACLGXTBFUYGYTC-KRWDZBQOSA-N	454.939	3.334	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C(=O)OC)o1	9210503	QDEQBFSBKUFKNN-LGJNPRDNSA-N	483.452	3.272	50	40	JGGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cc(C)oc3C)cc2)cc1	9441966	CULYXEGJKYXUMC-UHFFFAOYSA-N	457.508	3.171	50	40	JGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	13633829	JBKUBQOQGWFBKT-QFIPXVFZSA-N	460.446	3.427	50	40	JGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	58881478	OVMLVJDDKXKOJY-NSKAYECMSA-N	484.862	3.351	50	40	JGGB	
COCOc1ccccc1P(=O)(c1ccccc1OCOC)c1ccccc1OCOC	98175131	RGSFGANVHRLARB-UHFFFAOYSA-N	458.447	3.274	50	40	JGGB	
O=C(O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)ccc1Cl	101463977	AIFPQPZOOAEVOZ-IEOIMIPYSA-N	477.536	3.321	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(SC)cc1	408948684	PUABDYPGFLRMTN-JOCHJYFZSA-N	498.630	3.294	50	40	JGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])cc(I)c1O)c1cc2ccccc2o1	408954491	XEIXGVHZJGITTO-LSCVHKIXSA-N	451.176	3.415	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl	409339351	HTBYIKQSSAFOCS-SLEBQGDGSA-N	496.976	3.341	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])c(OC)c1	1086840	CCZPTBGKMJECOX-LSHDLFTRSA-N	488.298	3.383	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)NN=C(c2ccc(F)cc2)c2ccc(F)cc2)c1-c1ccccc1	1435831	ZKNCHNRMYMWXMR-UHFFFAOYSA-N	486.442	3.360	50	40	JGGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1	1437179	JGZQTWKCIBMNTO-NRFANRHFSA-N	467.522	3.367	50	40	JGGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O	3644136	PPCMQYQLCCDRNV-OBGWFSINSA-N	462.506	3.254	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OC	59419125	KZIHWGGKZBUAMY-UFFVCSGVSA-N	453.280	3.179	50	40	JGGB	
COc1ccc(/C(C)=N\NC(=O)CNc2ccc(I)cc2)cc1OC	408588678	JGFFBKSOBGOAED-MTJSOVHGSA-N	453.280	3.261	50	40	JGGB	
COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	408645844	LOOBAJBBQLAGJI-UHFFFAOYSA-N	466.877	3.198	50	40	JGGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1cc(Cl)ccc1Cl	408683457	LHQASUSXXKLWGX-QJPVEVLHSA-N	463.111	3.046	50	40	JGGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408875435	FOPHLSSUGHBHCC-OEAKJJBVSA-N	473.352	3.190	50	40	JGGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(OC)c1	408921981	CYYOBKULEHJHOZ-XGVLDKRDSA-N	494.548	3.149	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1C	409260924	YNVLKWHBOLNXMT-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCC(=O)OC	10118646	ARPOAWMDTIFRIT-SRZZPIQSSA-N	482.274	3.006	50	40	JGGB	
COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)c1	12275159	BGVNSOIBADWXNZ-MZNJEOGPSA-N	468.531	3.364	50	40	JGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1OC	12275164	TWUYYUIZWFSVES-CPJLOUKISA-N	498.557	3.373	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20212222	TWAOUTPJKUMHLB-YDZHTSKRSA-N	486.506	3.088	50	40	JGGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	35131839	PMOZPUZBTMVRNZ-XKZIYDEJSA-N	460.284	3.461	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1	58881522	KHBJMSRGVSLELV-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I	59334087	STSSLMQSOBOATG-WDZFZDKYSA-N	459.081	3.061	50	40	JGGB	
Cc1csc(SCc2c(C(=O)NNC(=O)C[C@H]3CCS(=O)(=O)C3)oc3ccccc23)n1	69946264	ZAROIGGCTZABCW-CYBMUJFWSA-N	479.605	3.076	50	40	JGGB	
Cc1ccc(C)c(N2C(=O)C(=O)[C@H](c3nc4ccccc4o3)/C(=N\NC(=O)c3ccccc3O)C2=O)c1	102943752	QMLXIABJHHORSX-ZKNOMKLHSA-N	496.479	3.162	50	40	JGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)cc1	408711779	KAUBUVLTEZTGPO-MTJSOVHGSA-N	468.291	3.487	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc(O)c1	8820532	YAQNRMKMXJLIFL-LWZSUBOQSA-N	467.572	3.391	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	16187088	KXPRMZCOHPQMRS-LFVJCYFKSA-N	453.520	3.258	50	40	JGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	20060519	MWFWUISAAMAAGU-RCCKNPSSSA-N	452.374	3.340	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccc(F)cc1	20930380	CXYVZZUOSNWDMA-BTSCWMHGSA-N	450.422	3.344	50	40	JGGB	
C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N	33415205	WSEDCAHZPQJHKQ-IZGWQLHLSA-N	485.552	3.038	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCCCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70698614	XPEVAAIZVBFUGG-CZBPHXAKSA-N	497.585	3.279	50	40	JGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	409103893	ZOPZLHCEDZSZIN-REZTVBANSA-N	455.246	3.214	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409246994	AMTJIXZIXZRHDC-DDFZXGMKSA-N	465.337	3.376	50	40	JGGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1	2246084	ADLGYTLHWFJOLP-NTCAYCPXSA-N	468.564	3.147	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	9562427	NVIKYJMTVCLOIL-AERCPGEASA-N	459.930	3.127	50	40	JGGB	
Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)c1cccnc1	13955607	QXTPBWUYZMPDPR-DEOSSOPVSA-N	453.502	3.268	50	40	JGGB	
CN(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccc(Br)cc1	16186758	YISNDUCNBDNTTN-WSDLNYQXSA-N	476.352	3.079	50	40	JGGB	
O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	17399877	KMISJNMOSXPROK-UHFFFAOYSA-N	459.893	3.141	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)NCCc1ccccc1	58881082	LACHOFHLUDOXPF-LQKURTRISA-N	478.936	3.167	50	40	JGGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccco3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70700613	MYCWFHZIAKFKJN-IKSLHTFYSA-N	463.527	3.427	50	40	JGGB	
O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@H](Cl)[C@@H]1Cl)c1ccccc1	97957687	SQBRMEYLNQYYAP-BMIHNBKRSA-N	457.360	3.431	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1O	409025002	PEKYDCYUMKIHBU-XUANBZSPSA-N	483.546	3.498	50	40	JGGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1	409156747	GYIDTRFGWQDVPA-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1C	409163356	QHGBUVKNQUMJPY-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1	409172802	LOBLHXLVMFRBOR-OGLMXYFKSA-N	458.518	3.033	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	409258569	VLDMLFWOVMABDJ-OBPDLJBASA-N	495.363	3.384	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC	958179	FGSOMZBXGSPVKD-KWRYHKOTSA-N	454.552	3.455	50	40	JGGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)nc3ccccc3c2=O)cc1	1294176	VPILUQBMMBEVCM-VULFUBBASA-N	490.541	3.351	50	40	JGGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCCc3ccccc3)c3ccccc32)cc1	2358434	SSWNHJOFPYOPKP-VHXPQNKSSA-N	450.498	3.479	50	40	JGGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1	8451221	PJCYXEVDLUFFCT-NRFANRHFSA-N	474.542	3.478	50	40	JGGB	
CCCCc1[nH]nc2c1[C@H](c1ccc(OCCN3CCOCC3)c(OCC)c1)C(C#N)=C(N)O2	20058174	NGFIDDNITJMOCH-JOCHJYFZSA-N	467.570	3.080	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OCc1ccc(Cl)c(Cl)c1	408610177	MOZBLNDRPOKLQR-OUPCILMJSA-N	480.348	3.326	50	40	JGGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)Nc1ccccc1	408655047	COBKUWGETWLHCX-VJQWSGFBSA-N	487.339	3.452	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1	408979669	NWSOKBNRKDERGA-PCLIKHOPSA-N	456.955	3.119	50	40	JGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1	409014242	WSFHXXNIMMOAAF-VULFUBBASA-N	492.488	3.458	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409249147	IPNFZTPDNWIFSH-IETDBYTCSA-N	464.444	3.088	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1O	1774943	FTMWQHTUCNDMPI-ATVHPVEESA-N	475.979	3.488	50	40	JGGB	
Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	1827599	RHBJPNCNAYZGCA-ATVHPVEESA-N	496.035	3.249	50	40	JGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OS(=O)(=O)c1ccc(C)cc1	2182871	QFRRRQGZJXBMES-OAQYLSRUSA-N	454.504	3.408	50	40	JGGB	
CCOC(=O)Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9158612	YXSNOYYLDAIWFB-RUZDIDTESA-N	489.919	3.088	50	40	JGGB	
Cc1cc(OCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)cc1Cl	12924993	FNWASKCZLBVRQC-UHFFFAOYSA-N	463.874	3.063	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1OC	20060563	VUFBYDSRBHMYHB-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccc(F)cc1	20930386	CXYVZZUOSNWDMA-XFBJJFJZSA-N	450.422	3.344	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OCc1c(Cl)cccc1Cl	408613461	ZTEOGJXULNBTDJ-JALYYJSPSA-N	480.348	3.326	50	40	JGGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	408678472	ZMHNMGSPAZEQIO-YDZHTSKRSA-N	460.328	3.365	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1cc(C(F)(F)F)ccc1Cl	408680810	GWMOGGDXFPFNLR-XOKVJCJLSA-N	496.663	3.412	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1	408907501	PLXDFASGSKOJSN-ZVHZXABRSA-N	458.927	3.089	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cc(Cl)ccc1Cl	409028728	RDCKPNIUGKOWJX-LSFURLLWSA-N	488.418	3.404	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)Cc2ccccc2)cc1	2315877	MHRRHKBWWSZJLZ-PCLIKHOPSA-N	467.547	3.045	50	40	JGGB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2F)Cc2ccccc2)c1	35153586	TVFUBHDIABSUSV-YSMPRRRNSA-N	485.537	3.184	50	40	JGGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1	59101808	KAKICVAVSNPCJN-CVKSISIWSA-N	463.490	3.380	50	40	JGGB	
O=C1OC(=O)[C@@]23[C@H]4[C@H]5[C@H](Br)CC[C@@H]5[C@H]5[C@@H]4[C@H]4[C@@H]([C@@H]6[C@@H](Br)CC[C@H]6[C@H]42)[C@]153	104285545	SUCSRMYAWNBEFQ-YTHUTBGSSA-N	468.185	3.387	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OCc1c(Cl)cccc1Cl	408613462	ZTEOGJXULNBTDJ-JYXARGHSSA-N	480.348	3.326	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1OCC(=O)O	408911456	JOFYIDSMDHBZIE-LSFURLLWSA-N	485.718	3.494	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409252114	SPPCKGKWDCGWGF-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1cc(Br)cc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1O	1088974	FVJJZFGIGDIOOJ-FSJBWODESA-N	491.342	3.434	50	40	JGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1	13648039	OXITTXRBNMETIU-QFSMETKJSA-N	473.533	3.252	50	40	JGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1	16575752	LTPRIJGJDIYQRL-CIAFOILYSA-N	452.374	3.343	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1O	20059273	RVENMXRLQWDQJL-BUVRLJJBSA-N	453.520	3.131	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1	20059676	WEXFEUILFLZGPL-HZHRSRAPSA-N	468.491	3.303	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(F)cc1	58880994	LCHZBDQUIQMXDJ-LGJNPRDNSA-N	452.417	3.071	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	59435862	NMYINCVZFDRZKJ-CVKSISIWSA-N	499.976	3.468	50	40	JGGB	
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)O)C3=C2C(=O)CCC3)cc(SC#N)c1O	409039330	CPVNAJGAHZBCRI-UHFFFAOYSA-N	454.504	3.472	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)c(=O)c1C#N	409067104	JFZAMBGFCIYXNF-PPDIBHTLSA-N	465.941	3.386	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccccc2)cc1OC	409115417	JACKITSUESDQOS-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	12032451	NHWFAZSGYHAHPV-QGOAFFKASA-N	484.559	3.346	50	40	JGGB	
COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc1OC	13132812	HPPZKURRTOCIBJ-INIZCTEOSA-N	454.284	3.470	50	40	JGGB	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1	15846628	OFYVJAHELGPJJZ-UHFFFAOYSA-N	481.574	3.012	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	19955900	RYVSUWADBYXNPW-WGOQTCKBSA-N	494.573	3.308	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OCC	20212082	FWMDMTPBYVPFMV-YDZHTSKRSA-N	483.974	3.062	50	40	JGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58881760	WYDVMXOGXOAIEC-VULFUBBASA-N	480.908	3.455	50	40	JGGB	
Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1	101644057	QHVBEMHITCJJPL-XTCLZLMSSA-N	457.446	3.023	50	40	JGGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	102939669	KOZVNZPVQHMWMR-UHFFFAOYSA-N	476.338	3.324	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCc1ccc(Br)cc1	408611207	VLFCITPYPPLYCE-AFUMVMLFSA-N	492.370	3.030	50	40	JGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(C)cc1	408881229	KIOYQTXEVFMGEP-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1	409154553	KIWZGNODQFICES-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1	409171361	ZSRDCXWSIRIEFD-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409247527	DCUXGARVLQYQKG-ACAGNQJTSA-N	475.255	3.047	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409255222	KYSQBXPNVKDYLO-MUFRIFMGSA-N	472.545	3.396	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1	945096	QBVUSDOOSSATHH-FYJGNVAPSA-N	450.904	3.187	50	40	JGGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccc(C)cc1	1302441	QNPHQRLSTHSOHI-DHRITJCHSA-N	497.577	3.458	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	3146647	RCALCHXFXZIDAC-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1F	9980768	BFXJLXXNBJEXTG-UXHICEINSA-N	453.495	3.244	50	40	JGGB	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	10888843	PSZYOZOVAXRVJN-HNNXBMFYSA-N	488.386	3.204	50	40	JGGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1	12579333	ZMTINEQZPFUPLJ-UHFFFAOYSA-N	464.316	3.036	50	40	JGGB	
O=C(N/N=C/c1ccccc1Br)[C@H]1C[C@H]1C(=O)N/N=C/c1ccccc1Br	18085826	ZJPKQTZFTSHLKO-ZPGFKHOISA-N	492.171	3.448	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1O	19947680	ONYYZTGXISWGDE-LFVJCYFKSA-N	453.520	3.137	50	40	JGGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccccc1	20230602	XCDSOFQHFOYYDD-JOCHJYFZSA-N	487.585	3.358	50	40	JGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1	59472781	BZPWTZIFAXHRNU-YZSQISJMSA-N	462.531	3.243	50	40	JGGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	105659545	VHBUTJHUWIINNJ-PXNMLYILSA-N	459.296	3.233	50	40	JGGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3cccc(Br)c3)c(C)c(C#N)c2=O)c1	409058547	YILBJBPIEAXYEW-MSXFZWOLSA-N	450.296	3.247	50	40	JGGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)ccc1OCc1ccccc1	409267331	SZDZOHUQXLSZNE-MBTHVWNTSA-N	477.517	3.301	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1	409272036	XWFJUUKYIFPKJT-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409327819	WQWTXVYGKWZSKS-LSDHHAIUSA-N	473.334	3.036	50	40	JGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2c(c1)OCCO2	1435421	LTTUFIPYUTZAIU-FBCYGCLPSA-N	472.089	3.158	50	40	JGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1	3147588	IYENVTNMTYGTFT-FBCYGCLPSA-N	458.106	3.460	50	40	JGGB	
O=C(COc1ccc(I)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	9948956	ZVMREDQOUWREBH-QGMBQPNBSA-N	459.627	3.382	50	40	JGGB	
COCCn1c(C)cc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1C	22357314	MQAIFOBYICNCOF-WGOQTCKBSA-N	457.538	3.217	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OC	28218038	SIWDMUFDWJCDEA-QGMBQPNBSA-N	453.205	3.047	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c([N+](=O)[O-])cc1OC	59427794	LQACBNIZPHUNNG-DHRITJCHSA-N	460.446	3.230	50	40	JGGB	
O=C(CCCC(=O)NNC(=O)Nc1ccccc1Cl)NNC(=O)Nc1ccccc1Cl	104081939	CWBLNKDLMPALRU-UHFFFAOYSA-N	467.313	3.169	50	40	JGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Br)c(OC)cc1OC	408609323	ZIMCTQRMLHXCTG-OAHLLOKOSA-N	465.329	3.024	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	408828807	WCHMDCDLVNBJMK-AXNZHVIBSA-N	474.517	3.040	50	40	JGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408946420	YEJOMPQRSCUFOX-VULFUBBASA-N	450.470	3.499	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	408972507	CZZLTBBEFCAYNC-FOKLQQMPSA-N	450.842	3.102	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2)c1	409163928	ZUKXHMZMWGVSTN-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1Cl	409251095	OHTCSEIZRNSFKV-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1	2257126	DRZNFRBKIZEALP-UHFFFAOYSA-N	459.325	3.362	50	40	JGGB	
Cc1cc(C)n(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)n1	9666203	FAKWYHOGPKCWKZ-VULFUBBASA-N	456.506	3.274	50	40	JGGB	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)[C@@H](C)n1c(-c2ccccc2)nc2ccccc2c1=O	16362456	WGGMUJNMBWCULI-MRXNPFEDSA-N	451.486	3.406	50	40	JGGB	
CCc1cccc(C(C)C)c1NC(=O)/C(=N/NC(N)=O)[C@H](C(=O)OC)c1cnc2ccccc2n1	17211610	KVPLHVOBCIOKCU-VTHQLMNWSA-N	476.537	3.235	50	40	JGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1	409023110	KLNILYPETVCAIO-ZVHZXABRSA-N	471.922	3.384	50	40	JGGB	
CCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1737931	XBTMHDZBIOQLFU-DENIHFKCSA-N	461.522	3.366	50	40	JGGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3c[nH]c4c(C(=O)O)cccc34)cc12	2238354	VBCGLGMWTJMQJA-KKMKTNMSSA-N	476.489	3.372	50	40	JGGB	
CC(C)(C)OC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1	9397569	HTKRWZVWRQLCCY-UHFFFAOYSA-N	473.595	3.500	50	40	JGGB	
O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	12525610	WKZKKPWWVKVZOW-UHFFFAOYSA-N	476.543	3.038	50	40	JGGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccc(I)c1	16137050	SUAUNLGABXLGLF-PXLXIMEGSA-N	463.319	3.277	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2F)cc1	20499731	KJDKNEUTQJQZJW-ZVHZXABRSA-N	470.482	3.388	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1	59246723	SCUKLLSTOXLPAX-MSXFZWOLSA-N	452.338	3.363	50	40	JGGB	
Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)C(=O)NC2=S)cc1	408758196	HJFHDUVKMMHWAE-TVYAFPLLSA-N	486.553	3.207	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2OC)cc1	409026968	KZMDOVHNQFSKGY-MFKUBSTISA-N	471.510	3.189	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(F)cc2)cc1OC	409116525	VKDOBSXHWZEQEL-YDZHTSKRSA-N	477.539	3.250	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2F)c1CSc1ccc(Cl)cc1	2453206	XFYSWFUZJXLNKQ-NUGSKGIGSA-N	472.893	3.081	50	40	JGGB	
O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1	9467078	XYOMCHARRCUJHT-UHFFFAOYSA-N	479.289	3.250	50	40	JGGB	
COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1OC	12766530	YJOMGQJUKZMFPD-UHFFFAOYSA-N	489.937	3.233	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1O	16284779	YTMFLDOZMWDONL-MFKUBSTISA-N	467.547	3.363	50	40	JGGB	
C=CCN(N=O)C(=O)N(CCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1	17212664	XPIGKGDGEODQOI-HSZRJFAPSA-N	465.554	3.379	50	40	JGGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	58873649	OVQPFPQXIPQUEL-JEWIKEISSA-N	462.481	3.171	50	40	JGGB	
O=C(COC(=O)CCCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1Cl	408665492	MBZLZLJCDHTREQ-UHFFFAOYSA-N	452.294	3.107	50	40	JGGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc([N+](=O)[O-])c1	408748287	BJSWDZNXVIXGQD-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	408780266	WKAVYFBNHHKSJS-JJIBRWJFSA-N	482.518	3.339	50	40	JGGB	
N#C/C(=C/c1ccc(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408784445	RGHLURNMQAASHA-VBKFSLOCSA-N	459.287	3.253	50	40	JGGB	
CCOc1ccc(/C=N\NC(=O)COc2ccc(OC)cc2)cc1I	408904991	RQFRJHQJXRIQAV-JAIQZWGSSA-N	454.264	3.228	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)c2ccc(C)cc2)cc1	408923257	VBAATAIRGBJQKT-PCLIKHOPSA-N	467.547	3.358	50	40	JGGB	
COc1ccc(CC(=O)N[C@H](C)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1	409152026	ITAHNICIMGXPEM-FRQJIFLKSA-N	464.478	3.369	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccs2)ccc1OC(=O)c1cccs1	3117954	VAOYDHDDWJWMFF-FSJBWODESA-N	457.533	3.308	50	40	JGGB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\NNC(=O)Cc3ccc(F)cc3)c3ccccc3C2=O)cc1	9493100	UHSCXVLGRQGYLR-KQWNVCNZSA-N	487.487	3.394	50	40	JGGB	
CN1CCN(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)CC1	9910251	HWVKVBIVLNMSTE-SSXUBFHHSA-N	482.009	3.045	50	40	JGGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1OC	16187189	KEGWRQGVVCRNPR-WGOQTCKBSA-N	497.573	3.054	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(Br)o2)c1C#N	27519398	WZSUDZFXAIUYIQ-CGOBSMCZSA-N	486.120	3.055	50	40	JGGB	
COc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1	408683951	MOAXTBXAGXWGHP-CPPNMTBBSA-N	485.334	3.457	50	40	JGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1	408790206	VBZFOCJPHOVTJP-VGOFMYFVSA-N	489.278	3.253	50	40	JGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1OCC	408982700	YQLJVZUZINRSAM-RHKYMZEHSA-N	485.537	3.355	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	409010488	KRFZKWBGPJDTSZ-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)c1	12275162	BGVNSOIBADWXNZ-BXKMTCNYSA-N	468.531	3.364	50	40	JGGB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1	13638641	RHOVPAIIXAFCFZ-AQTBWJFISA-N	455.561	3.143	50	40	JGGB	
COc1ccc(Cl)cc1-c1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)[nH]1	15279371	GFLIDVDZJLXTAD-UHFFFAOYSA-N	452.323	3.340	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC	19949887	IJBHSNKDWLRUKT-PCLIKHOPSA-N	483.546	3.058	50	40	JGGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1	21921587	QWBUUEYZLZWZNX-KRWDZBQOSA-N	472.501	3.013	50	40	JGGB	
O=C(NN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccncc1	100118864	PELSNEIGCCUAED-LJQANCHMSA-N	463.881	3.246	50	40	JGGB	
COc1cc(C(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)ccc1OCCC(C)C	105855944	XYNSZGJRZZBVEK-JKRLWXMKSA-N	471.598	3.356	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1	408732151	SUHKFOLOYUHYNX-ZVHZXABRSA-N	470.986	3.983	50	40	JGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408860613	ABDHADMBVXJCAX-XNTDXEJSSA-N	456.411	3.364	50	40	JGGB	
COc1cc2c(cc1/C=N/NC(=O)COc1ccc(Br)cc1Br)OCO2	409068778	VLNUBSUVXNRBCQ-IFRROFPPSA-N	486.116	3.478	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1O	409131610	JXEBNIVWAZSDEJ-BUVRLJJBSA-N	453.520	3.298	50	40	JGGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	1086830	HICFCJDVKAJNJZ-UFFVCSGVSA-N	458.272	3.375	50	40	JGGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(Br)cc1	3347639	VDZZWDDAUYALDX-UHFFFAOYSA-N	477.318	3.282	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1	16678395	DXLBWTCSCGRTNZ-KQWNVCNZSA-N	478.574	3.422	50	40	JGGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc(OC)c1O)Cc1ccccc1	109726114	LSRDHSTTYNMIPG-YSMPRRRNSA-N	497.573	3.059	50	40	JGGB	
O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408848460	VBPNAGAEZAZFRZ-XYHOIZSOSA-N	486.775	3.112	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1	408921329	GGBMTQQGCBLXFW-BUVRLJJBSA-N	482.518	3.257	50	40	JGGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1Br	408960159	CSSQYNJYWMDDFN-ZMOGYAJESA-N	469.339	3.027	50	40	JGGB	
COc1cccc(OC)c1/C=N/NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1	408973282	YCRZDEJWRDQFJR-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O	3770073	GNCKPTOKIWISKW-ICSRJNTNSA-N	492.532	3.283	50	40	JGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	8780696	VGBUDPWZKZLXPI-CNHKJKLMSA-N	479.272	3.336	50	40	JGGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	12917021	BHKNBWHRMJAMJE-UHFFFAOYSA-N	462.911	3.055	50	40	JGGB	
CCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc21	101088134	ZGAIPMMHRAGCKK-MEFGMAGPSA-N	457.515	3.012	50	40	JGGB	
Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)ccc1Br	138874469	JYSKJKPSTXUMRG-UHFFFAOYSA-N	496.745	3.134	50	40	JGGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c1	408874762	AHSPZQYBFRFPAX-MFKUBSTISA-N	468.579	3.327	50	40	JGGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(C)c1	408999608	LWAQPJFBHIMCMR-CFRMEGHHSA-N	476.371	3.127	50	40	JGGB	
Cc1cc2c(cc1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)OCO2	409001558	JBHKYRJFFUQRCR-BPDXMKQKSA-N	455.511	3.284	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(OC)cc1	639098	OKZFYVLCBGUZCO-PMACEKPBSA-N	485.949	3.458	50	40	JGGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc(Br)ccc3O)s2)cc1	1512724	ZAKCSXWGNREIOM-UFFVCSGVSA-N	474.340	3.260	50	40	JGGB	
C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)ccc1O	2121861	HCHJPRZFNATGBQ-HZZGJGATSA-N	470.323	3.342	50	40	JGGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1cccc(Cl)c1	3413440	YTDDQXCAMMXZTL-UHFFFAOYSA-N	455.923	3.166	50	40	JGGB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1	6173314	ABRLFLDRGITQDK-LGMDPLHJSA-N	475.954	3.459	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1O	15229950	YZAGLIRBVJHLAM-NSRYLYFRSA-N	467.547	3.269	50	40	JGGB	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	17576848	UUBDHRVCESCEKE-UHFFFAOYSA-N	468.560	3.424	50	40	JGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1OCC	20213191	QUTTWCARQLHCIM-ZVHZXABRSA-N	498.001	3.452	50	40	JGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	28215025	DLECLSGEYZFKDF-SIBVSACJSA-N	461.474	3.003	50	40	JGGB	
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	38180729	FQXFZDPVHACBHX-FQEVSTJZSA-N	452.898	3.479	50	40	JGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC#N)c(I)c2)cc1	408819797	TZPCCDLIMIWNEE-YBEGLDIGSA-N	473.270	3.426	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C	409165137	TTWWNDSWYFHDGN-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OC	1455393	JYGLKWBWKJILIN-HSZRJFAPSA-N	459.502	3.449	50	40	JGGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)ccc1I	9934542	DLEPCLKTIVYHTB-UFWORHAWSA-N	460.655	3.431	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059789	QJRNWSLAFAPEOL-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1O	37020478	CQSAYMPOZIMQPU-OCKHKDLRSA-N	489.107	3.461	50	40	JGGB	
COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O	39361381	VMBLSCHPZRFLIE-WJCXXMICSA-N	466.475	3.292	50	40	JGGB	
O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)NNC(=O)c1ccccc1Cl	408644466	FWLVSTASQGRBEK-UHFFFAOYSA-N	472.712	3.370	50	40	JGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I	408790118	NVXGRBKKFOSWFG-NTEUORMPSA-N	492.269	3.484	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1	409266157	PPKHSYBMNAAFER-JVWAILMASA-N	474.517	3.364	50	40	JGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(O)c(O)c2Br)cc1	1433641	LPBMSHPCAAUUQC-IFRROFPPSA-N	457.122	3.493	50	40	JGGB	
Cc1cc(OCC(=O)NNC(=O)CSc2nnc3cc(C)c4ccccc4n23)ccc1Cl	2072199	HUJVVMRXVYJWPG-UHFFFAOYSA-N	469.954	3.471	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	2132540	CYKRREOVYHJDFZ-UHFFFAOYSA-N	460.339	3.121	50	40	JGGB	
COc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(OC)c1	6166313	TVNPYTGOUYVZKT-DRTFUASGSA-N	454.552	3.311	50	40	JGGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC	8857307	MBKMYMJACWMEBX-SFHVURJKSA-N	464.478	3.338	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	409017941	WMPNRJWYJNSOOY-MFKUBSTISA-N	455.511	3.176	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccccc1	409152708	LAUZEVPORJNXLS-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(OC)c(OC)c4)c(=O)c32)c1	2228774	GZKUCXGPFZTQGD-DEOSSOPVSA-N	489.528	3.458	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCC(=O)OC	8811184	YDVCJCKGTQWRDJ-FOKLQQMPSA-N	495.326	3.181	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)Cc3ccccc3OC)nnn2-c2nonc2N)cc1	9242715	HTPUYLCZSPZSHT-CVKSISIWSA-N	490.524	3.045	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)C2)s1	12797145	XSNGFOIBKGUNSH-DZGCQCFKSA-N	481.665	3.105	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	20059757	DCHCNZCEYLKUKD-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20211747	YNSBFGAXHQCRCR-WPWMEQJKSA-N	482.537	3.384	50	40	JGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1	25258062	WBXCYDZRDCPNDG-KRWDZBQOSA-N	461.360	3.307	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl	59960341	JGEJLOQXJFHNOF-VULFUBBASA-N	486.956	3.265	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1Cl	408768090	BRUAXZHSNLFNIH-CIAFOILYSA-N	488.791	3.418	50	40	JGGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-]	409218578	GGMNHEALXWGKHA-HQHQWOAWSA-N	450.363	3.479	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409269232	HKQDJZCVCXDUME-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC	59566503	LQZYWMAGDABDJU-LQKURTRISA-N	462.550	3.229	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1OCC(=O)Nc1ccccc1C	408613459	ZSFIUTGSFMSQTN-UPHQNKNSSA-N	488.544	3.349	50	40	JGGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	408830699	OOQXJDGVXYFZCT-KSEXSDGBSA-N	471.926	3.132	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1O	409025000	PEKYDCYUMKIHBU-GZPJKGAFSA-N	483.546	3.498	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC	409029110	WEVUAZXHYFVRHG-WSDLNYQXSA-N	474.366	3.317	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccc(F)cc2)cc1	409060752	XMMIOCCWJAISQE-AFUMVMLFSA-N	455.511	3.181	50	40	JGGB	
Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1	3242262	JTKFBQOQEVXFAD-UHFFFAOYSA-N	485.591	3.027	50	40	JGGB	
COC(=O)c1ccc([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	9144927	IWCLEPCJZGUKMZ-VQTJNVASSA-N	459.506	3.134	50	40	JGGB	
C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1	13788261	YIQSYHPXZNPOOY-BUVRLJJBSA-N	462.539	3.263	50	40	JGGB	
O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NNC(=O)c1ccccc1Br	21848286	UBUZDLYVXZTDJB-UHFFFAOYSA-N	485.304	3.051	50	40	JGGB	
CCCCN1C(=O)C[C@H](C(=O)NNc2nc3ccccc3c(=O)n2CC)[C@H]1c1ccc(OC)cc1	22699888	ZZSZSRMRGAVQBA-NZQKXSOJSA-N	477.565	3.258	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	33447603	WKSRZHWELSSFIU-QRVIBDJDSA-N	485.474	3.149	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	59921205	XHWXJWZOELZKSR-HZHRSRAPSA-N	494.411	3.399	50	40	JGGB	
O=C1C(NNC(=O)c2ccccc2O)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C2=C1CC=CC2	101181471	FTCVLYUHRSGPAZ-DIBXZPPDSA-N	483.933	3.223	50	40	JGGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc(Br)c1	408582767	XMYNOXPYUOWWRP-LBPRGKRZSA-N	481.144	3.026	50	40	JGGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1	408612935	XMGMVFZQJMTJOO-VSRRSJTHSA-N	458.946	3.285	50	40	JGGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	408783941	PKXNRBPCDSSAAF-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1OC	409321786	UUVBHTSKYWAFCF-JJFYIABZSA-N	465.300	3.474	50	40	JGGB	
N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1	2203322	BVTVDEHBAWNEBT-FCDQGJHFSA-N	490.567	3.244	50	40	JGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(I)cc1	10118676	POXYJIKCETYBGG-CIAFOILYSA-N	453.255	3.031	50	40	JGGB	
CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1	12362325	LKZRBIHOIZMMLG-ZMOGYAJESA-N	461.316	3.307	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCC(=O)O	15229870	MUEFKZVETDHGJU-FSJBWODESA-N	472.295	3.476	50	40	JGGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1Cl	28217798	ATUGEGXFUQWYGH-WYMPLXKRSA-N	496.789	3.472	50	40	JGGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@H]3c3ccccc3)c2)cc1	36040351	AORJSSQLZULXBU-HTJVKWJPSA-N	483.524	3.294	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccccc2OC)cc1	409026926	HNFLGCAYGJXOSN-XIEYBQDHSA-N	467.547	3.440	50	40	JGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409163222	NUSXRBGOFOBBEE-LUOAPIJWSA-N	482.846	3.129	50	40	JGGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)c(Cl)nc2c1	2175846	YJUIAPDBEOQTNI-FSJBWODESA-N	460.943	3.122	50	40	JGGB	
CCOc1ccc(NC(=O)CCC(=O)N/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1	13895002	JMCMYEFJPGPLOB-UHFFFAOYSA-N	473.327	3.348	50	40	JGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccccc1	20214350	HPUURHQPAVZHHC-OVVQPSECSA-N	494.573	3.389	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409223167	FHWOVUCUURIMOX-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc(C)cc1	409254919	GGZHVOPKZLYXHX-STBIYBPSSA-N	472.545	3.341	50	40	JGGB	
Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1	2293053	NZCHDSXENPTDRX-VBKFSLOCSA-N	481.646	3.048	50	40	JGGB	
Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)c1ccc2c(c1)OCCO2	3659770	OIOHOSPQAQGWTD-IFRROFPPSA-N	486.116	3.466	50	40	JGGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3ccccc3F)C(C#N)=C(N)N2C1=O	3770436	MYTKEZVEYLDYKK-QUCCMNQESA-N	492.532	3.283	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(OC)c1OC	8683246	PWEMCSAGRFLWOS-PCLIKHOPSA-N	483.546	3.301	50	40	JGGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccccc1OCc1ccc(F)cc1	9562978	YQQGJJDHUGUNDZ-UHFFFAOYSA-N	476.552	3.378	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)c(I)c1	9948553	PNETVGHHRAJOQP-ODLFYWEKSA-N	469.235	3.127	50	40	JGGB	
COC(=O)COc1cc(Br)c([C@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1OC	16577796	PUEJMBTZDRVLMH-IBGZPJMESA-N	490.354	3.033	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(I)o2)cc1	35057536	WYHSQZRKWNFKPJ-REZTVBANSA-N	476.068	3.369	50	40	JGGB	
CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NNC(=O)COc1ccccc1Cc1ccccc1)(C3)C2	104994377	UMVCVAHVXIEJCL-SUZCJKPRSA-N	475.589	3.279	50	40	JGGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1Cl	408531991	HTNLUDPFNZPHBI-OFOCJOHBSA-N	453.669	3.262	50	40	JGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	408781227	AUFWGMCWUNIPTB-RPPGKUMJSA-N	489.315	3.370	50	40	JGGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)c1	409158410	YBKNYQQWJJKYGH-STBIYBPSSA-N	472.545	3.130	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OC(F)(F)F)cc3)CC2)cc1	1384016	JBRKYCOIKSYIBJ-AFUMVMLFSA-N	469.485	3.445	50	40	JGGB	
COC(=O)NN(C(=O)OC)[C@@]12CCC[C@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2ccccc12	5551340	PRQDCKPYLYZROT-UZUQRXQVSA-N	486.481	3.497	50	40	JGGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1C#N	27519379	MZNWBNREAOEVOB-QPJQQBGISA-N	496.705	3.261	50	40	JGGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1cccc(Br)c1	408785524	ZXTRRLYPHGPAGU-RCCKNPSSSA-N	452.374	3.372	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1	409170895	XUMUJNITYPDRFF-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1cc([N+](=O)[O-])cn1	1750439	QXSPZWOICXWQMR-SIKLNZKXSA-N	455.478	3.442	50	40	JGGB	
Cc1nc(C)c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	3209183	CJSFDXXWROZJNK-DWGHPKEWSA-N	489.448	3.043	50	40	JGGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1	4091323	UVDGJKOLOBPLLQ-STBIYBPSSA-N	492.576	3.319	50	40	JGGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	8456307	IRHNDGPJIMIXFN-SLMZUGIISA-N	491.345	3.246	50	40	JGGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)CCc3ccccc3)nnn2-c2nonc2N)cc1	9237630	QUAPBQWFYYBNKH-WGOQTCKBSA-N	474.525	3.427	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	19949870	SUZNYKZFQCLYFN-LFVJCYFKSA-N	453.520	3.049	50	40	JGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1	38161059	HCGWSTRVDQGMLK-FSJBWODESA-N	479.405	3.233	50	40	JGGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1O	408775319	PHEHGTLDQRVZMM-WJDWOHSUSA-N	489.313	3.261	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1O	409130098	VYJKJIQVBKGQJF-MFKUBSTISA-N	467.547	3.439	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409158292	QZWIXZQIYZYNQG-KBKYJPHKSA-N	495.363	3.242	50	40	JGGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc(OC)c1OC	12275498	QODNCGRRPKQFAF-WAIKUNEKSA-N	456.495	3.495	50	40	JGGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)Nc3ccccc3)cc2C1	12521231	OJXDOBKBNXAUNE-INIZCTEOSA-N	463.625	3.492	50	40	JGGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)O	96190221	LWTWUSNEDUUSSU-NKVSQWTQSA-N	494.241	3.273	50	40	JGGB	
CCCCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2cc(Br)ccc21	100175924	RGUXUZMFLUFYIW-BUIMCUSZSA-N	458.312	3.256	50	40	JGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@H]3[C@H]4C[C@@H]5[C@H]6[C@H]4[C@H]2[C@@H]([C@@H]53)[C@@H]6I)c([N+](=O)[O-])c1	195528803	ONQRMRLNRDSIAF-FAGFMXJBSA-N	466.235	3.462	50	40	JGGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O	408927225	YSDFQDMZZYRGKA-OJWZXOLNSA-N	494.573	3.009	50	40	JGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)NCc1ccccc1	409166563	FFWNSRNMGWMVEH-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)cc1	409260041	JTVRORBZGYTATA-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)/N=C(/N)O)cc3)n2)cc1	2202870	WLWOXVYMZZAWAC-SDNWHVSQSA-N	455.521	3.357	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccco2)ccc1OCC(=O)Nc1ccc(Br)cc1	3346933	TVLHOIATFNHLJY-UHFFFAOYSA-N	488.294	3.143	50	40	JGGB	
COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12	9447502	VLDNCCKXABANFH-UHFFFAOYSA-N	466.972	3.500	50	40	JGGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1	13775197	ATECAQLTGSSQKA-RGEXLXHISA-N	469.588	3.397	50	40	JGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	15226317	JPMNAKBFCKNSNG-YZSQISJMSA-N	479.558	3.385	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC	19949990	UKWNEWPACPFNOR-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccc(Br)cc1	20209840	HDPJXPBKISRVPG-LSHDLFTRSA-N	478.290	3.384	50	40	JGGB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3Cl)C2=O)c(C)c1	408530543	JDNGTVNDJGFWRO-OQLLNIDSSA-N	461.305	3.320	50	40	JGGB	
Cc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1Cl	408668577	UZSDRYZHJBSFKI-UHFFFAOYSA-N	466.321	3.415	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1	409167640	JEPOMCFVWUGJTE-LGJNPRDNSA-N	474.945	3.041	50	40	JGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(I)o2)c(Br)c1	1051297	LTVHRTTZPDNGTL-REZTVBANSA-N	479.068	3.184	50	40	JGGB	
CCOC(=O)[C@](NC(=O)CCl)(Nc1sc2c(c1C(=O)OC)CCCC2)C(F)(F)F	2354935	ACACGTVEHDYYRD-INIZCTEOSA-N	456.870	3.002	50	40	JGGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccco4)n12)CC[C@@H](C)C3	13499827	IFZCGXLQJHWLLX-LLVKDONJSA-N	470.580	3.173	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	59443804	IMXARTIVLFMVPU-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
C[C@@H](NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1	101915693	DWFABGMGTSVDRG-BODAQGECSA-N	498.215	3.030	50	40	JGGB	
NNC(=O)C12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@]14Cl)[C@]2(Cl)[C@]53Cl	104078560	HGXWKYRLAUNUAN-WCTKRSPPSA-N	486.224	3.048	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409121563	WRTBPXUXSYRKLF-NLRVBDNBSA-N	497.573	3.448	50	40	JGGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1	409269662	LHJJKIPUROAMGM-RPPGKUMJSA-N	468.897	3.025	50	40	JGGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1Cl	1529544582	JJZKAKRJQUFZFJ-AXDLBROPSA-N	486.981	3.225	50	40	JGGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)c1nc2ccccc2[nH]1	9187504	OKXQIPWCFVLYAB-GHRIWEEISA-N	473.514	3.292	50	40	JGGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	13800818	PISLFKQXJDXRTJ-WJDWOHSUSA-N	490.950	3.301	50	40	JGGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	15134658	OWICWGOFYUFIBP-QRVIBDJDSA-N	464.390	3.495	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)Cc2ccccc2)cc1	15229867	GVDYTPPQKSHXPJ-OEAKJJBVSA-N	457.577	3.406	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1	20207887	OXEYGTVTUUWFOY-LPYMAVHISA-N	456.480	3.080	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	409252359	DJHLAYOEFBAACK-SVLFYUKMSA-N	464.444	3.088	50	40	JGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	2176270	RHTPJBBOKYMKBY-LFVJCYFKSA-N	453.520	3.404	50	40	JGGB	
O=C(NN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@H]1COc2ccccc2O1	8692203	OMSUOGHKOWWGHU-DAKPFUFHSA-N	475.888	3.329	50	40	JGGB	
COc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1	12584958	YPDUMJRDBMWYIJ-SFHVURJKSA-N	490.512	3.123	50	40	JGGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	12642137	DRGOLUMHXMNQJL-IWJXXNJYSA-N	482.493	3.256	50	40	JGGB	
CO[C@H](C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1)c1ccccc1	13576152	HPTZLUZFLFTHCS-YZVCNYDTSA-N	458.518	3.362	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCc3ccccc3)cc2)cc1	58873207	WYYTUEYBMIMLSS-QRQIAZFYSA-N	458.518	3.169	50	40	JGGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc([N+](=O)[O-])c3)C(=O)C3=C2CC=CC3)cc1	101181537	HRGLDAOGMIWHAN-MEFGMAGPSA-N	492.513	3.081	50	40	JGGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	108244991	XMVMIITVDPKODA-NKVSQWTQSA-N	484.690	3.255	50	40	JGGB	
O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408681278	HNJBTSFYFKPYSV-QMROVXIMSA-N	461.356	3.212	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCC(=O)OC	408965393	GUVMGECYTASOSB-YSURURNPSA-N	478.274	3.174	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1	409174595	VGTKDSUUPXVJSE-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1	409268208	ZSQQABQXSBOXIP-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1O	409337935	ZUWZJGSVABYUTM-CPUXBYDOSA-N	457.527	3.351	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)ccc1OC(=O)c1ccco1	2410508	MLBFYYXPAGPDSN-LSHDLFTRSA-N	475.299	3.234	50	40	JGGB	
Cc1ccc2c(c1)/C(=N\NC(=O)[C@H](C)n1c(-c3ccccc3)nc3ccccc3c1=O)C(=O)N2	6162604	JXHAPBVMWVLMSM-INIZCTEOSA-N	451.486	3.406	50	40	JGGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccccc3C(F)(F)F)cc2)C[C@@H](C)O1	14907305	KMEYFJMGUPNVNY-OKILXGFUSA-N	457.474	3.260	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19949649	APMJDDKOIJUNGU-HZHRSRAPSA-N	452.492	3.249	50	40	JGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1	21273911	MZYSBZUVBNPOCM-AFUMVMLFSA-N	459.897	3.396	50	40	JGGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	58873652	OVQPFPQXIPQUEL-VSWHYLHOSA-N	462.481	3.171	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)o2)cc1	408925782	PUQZRDCTYUMVMN-XUANBZSPSA-N	483.546	3.428	50	40	JGGB	
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=C\c1ccco1	9307182	ALHJDTTTZGCNGY-JGZQNSPISA-N	464.511	3.245	50	40	JGGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	14359967	XJYAEWCKTLBQLR-UHFFFAOYSA-N	457.390	3.374	50	40	JGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	20060526	IRANPUUTHFJADF-HYARGMPZSA-N	481.416	3.212	50	40	JGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	408896472	YSVWLJFGABOTEP-ZMOGYAJESA-N	473.986	3.367	50	40	JGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)c(C)o2)S(C)(=O)=O)cc1	408921098	CZKAQJWPHVLYBE-DQAKUKQTSA-N	472.361	3.054	50	40	JGGB	
CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	408966732	NTSBWENAUYTBSP-OYKKKHCWSA-N	455.540	3.296	50	40	JGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C	409152610	KMRAQFDJMGYDTE-BRJLIKDPSA-N	489.370	3.060	50	40	JGGB	
Cc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2s1	2733670	CHACXCJHZQIQRQ-AUEPDCJTSA-N	491.562	3.207	50	40	JGGB	
O=C(N/N=C/c1cccc(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	3101341	HGEQQGGAJJQFFS-ZVBGSRNCSA-N	461.181	3.399	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCC(=O)Nc1ccccc1C	408610888	OVNORCKGIMGAKM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1	408982329	XOZYKOGRKKAAPA-ZXVVBBHZSA-N	495.601	3.478	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)C[P@@](=O)(OCCCl)c2ccc(N(C)C)cc2)cc1	9087004	LTSPLIKWXXKKHH-PGMHRQGGSA-N	450.907	3.128	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)C2)s1	12797140	XSNGFOIBKGUNSH-UKRRQHHQSA-N	481.665	3.105	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccc(C)cc2)cc1	20061070	JVBQBFGFPNLBFV-WGOQTCKBSA-N	495.557	3.275	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2OC(F)F)c1	23241688	VXSIOLZDTKWKGX-UHFFFAOYSA-N	491.472	3.172	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	27527996	UKRJPSCAFWVXJJ-PCLIKHOPSA-N	465.531	3.203	50	40	JGGB	
CN1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)CC1	38151513	GRVPVNGAKKAGRU-WKPIXPDZSA-N	487.074	3.446	50	40	JGGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1	408764612	JNHZEJYNWHQJBO-FYJGNVAPSA-N	470.419	3.035	50	40	JGGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	408924524	JPBBMCMVSGOUHF-BHGWPJFGSA-N	476.908	3.341	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1	408925875	RMNHDNLUECDOPA-YZSQISJMSA-N	480.590	3.415	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)c1	409153955	JDNBESFZTSBCLA-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1	409158900	ZKLPZSLRGHONMO-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cccc(Cl)c2C)cc1	409184215	FSGIBELSQCKKKJ-UHFFFAOYSA-N	463.003	3.350	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(N)=O	409219628	SNTDFNIHDLWJHT-VGOFMYFVSA-N	491.285	3.018	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1CC	409267577	ODCKXKKXEXFDDT-RWPZCVJISA-N	492.532	3.025	50	40	JGGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CNC(=O)C3CCCCC3)cc2)cc1	9714630	RTJUSKFLXLMQQU-UHFFFAOYSA-N	453.539	3.122	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1Cl	408867441	KUZONAQAANWPCP-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	409264901	LQVKWGHOBYHUHK-HURLIOHXSA-N	474.945	3.039	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	8452444	HJBSRGUDBGSNAP-WSDLNYQXSA-N	472.350	3.071	50	40	JGGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118664	GSTCVUODNFGGML-UFFVCSGVSA-N	461.259	3.183	50	40	JGGB	
Cc1cccc(OCC(=O)NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1	13004916	PEJMZZRNQXGUDS-UHFFFAOYSA-N	453.568	3.059	50	40	JGGB	
CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2C1	13040443	YPXNHFZXNWITDE-GFCCVEGCSA-N	489.541	3.178	50	40	JGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(C)(=O)=O	20212857	UDERQIGKHUNNGN-LSHDLFTRSA-N	468.000	3.059	50	40	JGGB	
CCc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1	408647510	UEISMZFKHZQSRO-UHFFFAOYSA-N	490.354	3.125	50	40	JGGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	408780160	UFFFGZQLEUGFIP-OEAKJJBVSA-N	456.455	3.080	50	40	JGGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	408940140	OCWGBMPAEHJWGF-ZVHZXABRSA-N	487.379	3.185	50	40	JGGB	
COc1ccc(-c2n[nH]c3c2[C@]2(C(=O)Nc4ccc(Br)cc42)C(C#N)=C(N)O3)cc1OC	1087488	JBZMJJQPLNNVDD-JOCHJYFZSA-N	494.305	3.181	50	40	JGGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3cccc4ccccc34)n2C)cc1	2074569	YELGKZMWAOSEKH-UHFFFAOYSA-N	461.547	3.262	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)c1CSc1ccccc1	2193749	QBZRMEANIGRGIN-KIBLKLHPSA-N	488.455	3.308	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1CSc1ccc(Cl)cc1	2453348	UWPLGCJRJPBWCI-NUGSKGIGSA-N	472.893	3.081	50	40	JGGB	
CCOC(=O)CC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1	9540286	GWKVVSWGBIMMBV-NMWGTECJSA-N	477.608	3.400	50	40	JGGB	
COc1cc(C(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c([N+](=O)[O-])c(OC)c1OC	30802824	DPKYMTOOXPTEEC-UWVJOHFNSA-N	483.231	3.055	50	40	JGGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@@H]3c3ccccc3)c2)cc1	36040356	AORJSSQLZULXBU-OCYMZZDUSA-N	483.524	3.294	50	40	JGGB	
COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21	46084808	XABZONWVBINNCA-FVDSYPCUSA-N	459.502	3.329	50	40	JGGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(F)cc1	58918405	LYWIFJLZZNLMKR-LFVJCYFKSA-N	470.482	3.470	50	40	JGGB	
O=C(CN1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1	103240697	GOTVFGAAUHTMNL-UHFFFAOYSA-N	465.509	3.396	50	40	JGGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1O	408759789	LOQVVPUMHGQMBT-UFWORHAWSA-N	482.303	3.124	50	40	JGGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)ccc1OC(C)=O	409227915	XHYIAABGHHWHEH-FMCGGJTJSA-N	467.390	3.105	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1	409263251	IMDKCKVGHGXNFV-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8762055	YCUPYGNYTAKIOU-MMYDVDCHSA-N	490.482	3.286	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1	16401847	PRQDWZPPXDNRJD-KWCFBIRBSA-N	475.998	3.398	50	40	JGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)c1C	20209952	IZCKQPQMOCILEE-SRZZPIQSSA-N	452.374	3.291	50	40	JGGB	
O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@@H]1Cl)c1ccccc1	97957688	SQBRMEYLNQYYAP-WKWOYYNSSA-N	457.360	3.431	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1	409137667	XUHZDRVXGTXLHY-RTBURBONSA-N	455.923	3.450	50	40	JGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)c(O)cc1O	1434433	YAGJDKSAIWYUDT-FBCYGCLPSA-N	474.105	3.161	50	40	JGGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	2541973	YJOOKIGXVGEUHU-LGJNPRDNSA-N	468.477	3.037	50	40	JGGB	
O=C(NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1	8927220	FBYBBECDXLNHKS-SJLPKXTDSA-N	463.317	3.257	50	40	JGGB	
COc1ccc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc12	9381899	WVHLMQQNPFCYAF-GJZGRUSLSA-N	490.607	3.168	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCC(=O)OC	9498770	LMAQRTZBEFKRJR-RWPZCVJISA-N	477.517	3.443	50	40	JGGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNS(=O)(=O)c1ccc(Br)s1	12799061	BOYHBTSCDKQWFC-MRVPVSSYSA-N	484.191	3.050	50	40	JGGB	
O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)CCN1CCN(Cc2ccccc2)CC1	22938741	YCTLNBPNPMFWFX-VQHVLOKHSA-N	461.393	3.362	50	40	JGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3c(O)ccc4ccccc34)CC2)cc1	58980268	BGNHIVRBAWMOAC-PCLIKHOPSA-N	451.548	3.405	50	40	JGGB	
O=C(Cc1cc(=O)oc2cc(O)ccc12)N/N=C\c1ccc(N(CCCl)CCCl)cc1	73011820	RALUPMDCOQIOIS-QFEZKATASA-N	462.333	3.475	50	40	JGGB	
CCc1cccc(C(C)C)c1NC(=O)/C(=N\NC(N)=O)[C@@H](C(=O)OC)c1cnc2ccccc2n1	102947847	KVPLHVOBCIOKCU-HWNDXBDOSA-N	476.537	3.235	50	40	JGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3OC)S(C)(=O)=O)o2)cc1	408906918	KNDYHFMQSSNGFI-MFKUBSTISA-N	499.545	3.048	50	40	JGGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)c1	409157362	IXBIZAPNKBYOKC-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(OC)cc1	639090	OKZFYVLCBGUZCO-WOJBJXKFSA-N	485.949	3.458	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1	876592	DZXUZRIFTINYAK-UHFFFAOYSA-N	489.557	3.408	50	40	JGGB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1	8914129	HMZMFKXOZQIMOJ-QMBXGQNESA-N	484.965	3.300	50	40	JGGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)c3ccc4ccccc4c3)cc2)cc1	10218399	CTGQRYRXJHXKIC-UHFFFAOYSA-N	478.508	3.335	50	40	JGGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1cc(C)sc1C	13750423	YFGXYAPCYMTMRW-WSDLNYQXSA-N	468.568	3.357	50	40	JGGB	
COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	881405	QYMBKQMWHNHEMI-UHFFFAOYSA-N	463.490	3.348	50	40	JGGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	9815409	NWOUSRXEDXFKCL-SXYIGIQMSA-N	480.030	3.247	50	40	JGGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCOCC3)c(Oc3ccc(Cl)cc3)nc12	13779065	YYDTXZRASGNNKA-DTQAZKPQSA-N	450.882	3.214	50	40	JGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccc(Br)cc1	16248216	BBAUTWRAXMNZCB-AWQFTUOYSA-N	462.728	3.158	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C	408607099	MZGDDEYWFTUZHA-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1	409251197	OWCHTVKYTMFHRR-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)NCc1ccccc1	409264967	NBYXYSCUFSUDRZ-MUFRIFMGSA-N	492.507	3.008	50	40	JGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)/C(=C\c1cccs1)NC(=O)c1ccccc1	3115136	OEXIUQJDPBPGDT-WQEBFIPHSA-N	481.446	3.191	50	40	JGGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)NC1CCCCC1	3237265	ZIFCKIRWQWTASE-UHFFFAOYSA-N	450.948	3.418	50	40	JGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1	6239276	STTLVEVLXSXWRA-SFHVURJKSA-N	462.462	3.107	50	40	JGGB	
O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)NC1CCCCC1	12558849	QWTGAZMGQPZUAP-LJQANCHMSA-N	453.568	3.234	50	40	JGGB	
O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(OC(F)F)cc1	17576754	JTFAMMHRVJALPK-UHFFFAOYSA-N	467.475	3.225	50	40	JGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)cc2)cc1	19956656	CUYMPJBNVZLRDB-WGOQTCKBSA-N	495.557	3.438	50	40	JGGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(C)c2)cc1	108254364	YFTCAISXLJBFCR-OVVQPSECSA-N	492.601	3.337	50	40	JGGB	
CC1CCN(C(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)CC1	408680777	GOEHBLHDTZAGRC-KSCVBYKOSA-N	461.356	3.068	50	40	JGGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1C	408835169	MRJWPZZNPJYBIQ-MOSHPQCFSA-N	456.502	3.375	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OC	408964006	LFLQUADFJOGTMA-WNFNFYEPSA-N	455.555	3.462	50	40	JGGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2ccccc2)c(C)c1	409143764	IVFJZSUORJEEGC-CVKSISIWSA-N	450.564	3.348	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)cc1Cl	409172039	BBPYGVWGQFKICH-RWPZCVJISA-N	478.936	3.432	50	40	JGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)c1	409174767	OSCJQDVLTBGMJS-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1	409252070	RXSWVUJGEWTWTJ-STBIYBPSSA-N	488.544	3.042	50	40	JGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1	409263727	BTHSOOCJOJAUTQ-ZIFAQYRBSA-N	489.370	3.140	50	40	JGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1	409268968	CBJPMZKYZVBKFH-OKCVXOCRSA-N	492.963	3.110	50	40	JGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccc(OC)c([N+](=O)[O-])c1	15134353	MFENQOJGCCYOIC-RGVLZGJSSA-N	452.261	3.294	50	40	JGGB	
O=C(N/N=C1/C(O)=Nc2cc3c(cc21)OCCO3)c1ccccc1NS(=O)(=O)c1cccs1	40161305	HIQCMSODWSRPIM-UHFFFAOYSA-N	484.515	3.056	50	40	JGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	408725759	HKPGXFXFIMNNBB-YZSQISJMSA-N	462.531	3.319	50	40	JGGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(I)c1OCC(=O)O	408829355	PEBSZSMLMZTTBF-NTUHNPAUSA-N	484.290	3.119	50	40	JGGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)c1	409152373	FDBMYMXNCFDWSR-CVKSISIWSA-N	460.490	3.110	50	40	JGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409260253	NIWZUYNREQHATM-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	1305141	GOYZTKYAQGUJMY-IADYIPOJSA-N	464.884	3.276	50	40	JGGB	
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1	8819132	MVWXXXOEHCVZQM-GZTJUZNOSA-N	475.979	3.401	50	40	JGGB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1Br	8820332	NCWCXDPRKQEJSU-RVDMUPIBSA-N	494.392	3.485	50	40	JGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc([N+](=O)[O-])c1	13601541	YQIIGGZMDZZHDX-YDZHTSKRSA-N	463.406	3.284	50	40	JGGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20059759	MYQCBHGRPRHLON-WGOQTCKBSA-N	497.573	3.366	50	40	JGGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1OC	35409518	QZIZINQHFFYPCD-QQXSKIMKSA-N	481.574	3.353	50	40	JGGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	59473160	OLJRFIHOEDUFDP-GCMSVZMUSA-N	461.971	3.209	50	40	JGGB	
C[N+](C)(C)CC(=O)N/N=C\c1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	104295497	JHKCCXVYTQLEKJ-FMCGGJTJSA-O	497.444	3.495	50	40	JGGB	
CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1	850924	XSOWFNWVNMDBFS-JOCHJYFZSA-N	466.291	3.380	50	40	JGGB	
COc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2OC)c(O)c1	1055566	WXCXQSSSZIDZFD-DNTJNYDQSA-N	488.132	3.464	50	40	JGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2	8829033	WWBCJSIJIPUFFL-CVKSISIWSA-N	499.976	3.452	50	40	JGGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1)N/N=C/c1ccc([N+](=O)[O-])o1	8895317	ONAUKRHXWZFMGH-JFMUQQRKSA-N	476.446	3.410	50	40	JGGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C	9631402	RSUUUNYFCVZCMK-ZOGYRTINSA-N	481.549	3.154	50	40	JGGB	
O=C(NNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1cc(-c2ccccc2)n[nH]1	12535181	SSVWHYNAYJYKEY-UHFFFAOYSA-N	458.375	3.495	50	40	JGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(I)cc2)cc1	12629141	XMKGSKHPIGYOKR-LPYMAVHISA-N	465.291	3.112	50	40	JGGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	19951590	WPJPBWVDDXXSEG-ZMOGYAJESA-N	471.922	3.414	50	40	JGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1nc(Cn2nc(C(F)(F)F)cc2C)no1	36614987	GHMMSVGFMWPWBM-MRUKODCESA-N	472.431	3.208	50	40	JGGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OCc1ccc(Cl)c(Cl)c1	408610173	MOZBLNDRPOKLQR-OLWYRFLESA-N	480.348	3.326	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(Cl)c(Cl)c1	408687932	VIDLNSSXBWRFHL-IDNXRVBGSA-N	463.111	3.046	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1	409262063	CJSAQJVSBIRBDP-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc(Br)c1OC	1784057	UBUWBLCOIWXYSZ-QPJQQBGISA-N	479.356	3.005	50	40	JGGB	
O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	2646421	AXAWNRJLQJVTTR-UHFFFAOYSA-N	460.924	3.289	50	40	JGGB	
O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NNC(=O)Nc1ccc(Cl)cc1	12958004	QBDFWKVEDYNMLM-UHFFFAOYSA-N	491.301	3.382	50	40	JGGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(N)=S)cc1I	408544250	UNJFKAWESXLGRM-WTKPLQERSA-N	494.095	3.101	50	40	JGGB	
C=CCc1cc(/C=N/NC(=O)C(=O)NC)cc(OCC)c1OCc1ccc(Br)cc1	408999683	VMAVRRBFRUEDFM-DHRITJCHSA-N	474.355	3.351	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC	409011666	HYZUNEOVYKHHAO-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
C[C@@H](C(=O)N/N=C/c1ccccc1C(=O)O)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025534	WSAOFKBKUZQYGO-XUANBZSPSA-N	481.530	3.482	50	40	JGGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1)NCc1ccccc1	409156332	NVFJDUKPEBVBSV-JFLMPSFJSA-N	464.909	3.124	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(OC)cc1	639110	KYQWTZNZVCGKGG-SFTDATJTSA-N	465.531	3.113	50	40	JGGB	
COc1ccc(C(=O)NNC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)cc1	1346529	XAQAZQAPSQZTEH-UHFFFAOYSA-N	468.926	3.031	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OS(=O)(=O)c1ccc(C)cc1	3518634	KPOCTAQAXYUHCI-ZMOGYAJESA-N	468.487	3.264	50	40	JGGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20060000	PUATXXZQHIONIH-WGOQTCKBSA-N	479.558	3.436	50	40	JGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1	102247654	ZJUBNZNGQXDERH-XYJFISCASA-N	457.552	3.083	50	40	JGGB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)c(OC)c(OC)c1	103918354	CNMKMNJPKLZDRJ-QNGOZBTKSA-N	452.511	3.424	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1	408759172	ZCGIRKHNBWBJCK-FNLSEGDXSA-N	482.400	3.306	50	40	JGGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1	409074688	WTWXUKKBJPEEOB-AFUMVMLFSA-N	456.955	3.385	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1Br	409118171	SRWAMKRXARGUTP-UDWIEESQSA-N	454.346	3.008	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c1	1089333	DRBVMNKQZUMVEF-LSHDLFTRSA-N	488.298	3.383	50	40	JGGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)c(O)c(O)c2Br)c1	1433649	MLZKEZMNFXKOSD-IFRROFPPSA-N	457.122	3.493	50	40	JGGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1/C(=O)Nc3ccc(Br)cc31)CO2	2312070	UYMMZRIALLSZMN-QGZVFWFLSA-N	458.312	3.359	50	40	JGGB	
O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	12289751	ZBELAXVDFLQJFD-OVCLIPMQSA-N	462.506	3.427	50	40	JGGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccccc1F	19597396	GBJODYXLOLVZBD-NRFANRHFSA-N	491.548	3.107	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	20499697	UBWFSOQAVXJRJF-MFKUBSTISA-N	455.511	3.488	50	40	JGGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC	20764749	HJLWJCHFFWCRGB-LPYMAVHISA-N	478.286	3.474	50	40	JGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O	408776126	UIZKRGLATBLBSN-AUEPDCJTSA-N	463.865	3.284	50	40	JGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1C	408780289	WWRJBLCJFYRYIU-WGOQTCKBSA-N	479.558	3.439	50	40	JGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1	409170754	XQKOLNOXWLYSPS-JFLMPSFJSA-N	462.481	3.494	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cccc(Cl)c1	409267375	VGHDXSMGFIKWGI-SQAVSUBZSA-N	474.945	3.121	50	40	JGGB	
CCCCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2cc(Br)ccc21	9272323	RGUXUZMFLUFYIW-YBAYSFDISA-N	458.312	3.256	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c1-c1ccc([N+](=O)[O-])cc1	9328959	VAPBYVICSZVBGJ-VULFUBBASA-N	495.459	3.239	50	40	JGGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1	9491412	RUDTWZREJOZBIE-UHFFFAOYSA-N	463.968	3.414	50	40	JGGB	
COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1	13804321	GXPQJQWYLXZKQY-WYMPLXKRSA-N	498.956	3.341	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccccc2F)cc1	15225362	QJSZVPHUQYIMQV-VULFUBBASA-N	483.521	3.174	50	40	JGGB	
Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc1	48341188	PJSZFVPJSPAZKN-UHFFFAOYSA-N	470.605	3.296	50	40	JGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408977083	CUJDBMNFTATTHX-ZHNJOBQTSA-N	466.519	3.463	50	40	JGGB	
Cc1cccc(OCC(=O)N[C@H](C(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)C(C)C)c1	2121845	YGNFRUXHZGVJFY-BLXMRYOQSA-N	491.342	3.336	50	40	JGGB	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cc2)c1C	26536408	GHRYQDMVZZVMKC-UHFFFAOYSA-N	473.533	3.080	50	40	JGGB	
CCN1C(=O)/C(=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	103462136	FZQHSHHFJRXELG-IYWILYRPSA-N	463.563	3.031	50	40	JGGB	
NNC(=O)C12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@@]14Cl)[C@]2(Cl)[C@]53Cl	104078566	HGXWKYRLAUNUAN-CGPVRTRUSA-N	486.224	3.048	50	40	JGGB	
COc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)c1	408689180	XTJRVLKRMPQTGF-CPPNMTBBSA-N	485.334	3.457	50	40	JGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1	408869351	CBGSNXCSFROGEZ-PCLIKHOPSA-N	452.536	3.134	50	40	JGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl	409176272	ZQEAONMKLOCXCK-OPEKNORGSA-N	465.337	3.233	50	40	JGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409224168	JIACGNJKVPFRDM-CFRMEGHHSA-N	491.416	3.445	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OCC)c2)cc1OCC	409322521	KFOQJHABTQEBOY-ZMFRSBBQSA-N	475.929	3.330	50	40	JGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)ccc1O	1434491	PYAJEVASLZOVCL-DNTJNYDQSA-N	457.122	3.488	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(=O)c1C#N	2308824	POCMEVJWEYBFFB-KIBLKLHPSA-N	483.868	3.147	50	40	JGGB	
O=C(CSc1nnc2sc3ccccc3n12)NNC(=O)c1ccc(Br)cc1	9585115	KMTZNXGCOQDXNF-UHFFFAOYSA-N	462.354	3.260	50	40	JGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1	20214743	CWLDUZSPBONWDY-QKIXXSFTSA-N	486.506	3.168	50	40	JGGB	
O=C(Nc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1)c1ccccc1	408685193	OYUZNJSANIQVFE-QMROVXIMSA-N	455.308	3.448	50	40	JGGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1O	408981150	UXPZEBCALGMTEZ-HUXSYLCKSA-N	467.547	3.269	50	40	JGGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1	409005286	HBTLILUCDOLRKN-JFLMPSFJSA-N	499.564	3.493	50	40	JGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1	409153692	DTJKBEPHJULCFL-JFLMPSFJSA-N	490.516	3.119	50	40	JGGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409325351	YBTFOIHTXJRERR-RTBURBONSA-N	479.986	3.078	50	40	JGGB	
O=C(NNC(=O)c1c(F)cccc1Cl)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	8986612	ATWALPYMJOCNGA-UHFFFAOYSA-N	450.861	3.256	50	40	JGGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1	13134855	LKWTYCZOVGRSNH-UHFFFAOYSA-N	493.463	3.139	50	40	JGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)n1CC(C)C	13149036	LHGLKPCNHUPJGF-RQZCQDPDSA-N	468.579	3.499	50	40	JGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccccc2)cc1OC	59443869	QEYYRDMAQZSUAL-CVKSISIWSA-N	485.537	3.184	50	40	JGGB	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O	72332934	MTOTXNDDEBPXOP-JVJCFUFJSA-N	497.585	3.133	50	40	JGGB	
COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3C)c2C)c(=O)c1C#N	409005633	FVFGAWSPWPSGKQ-QDTIIGTASA-N	459.550	3.349	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409028368	MGVWLLZWOSLNCJ-WSDLNYQXSA-N	456.351	3.475	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1	409137665	XUHZDRVXGTXLHY-OALUTQOASA-N	455.923	3.450	50	40	JGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	409170074	SLFZXNCCJDIUIN-JFLMPSFJSA-N	474.517	3.418	50	40	JGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	409256317	NPBHAYDBJQRGFC-JVWAILMASA-N	490.516	3.200	50	40	JGGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	1790802	TYSIZAPMAJSBEG-URTGMZOISA-N	473.308	3.269	50	40	JGGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-]	1833815	WVDDHJOJWSAJOQ-LFIBNONCSA-N	490.950	3.301	50	40	JGGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	9292591	TVAGJCDUPSSQHY-QPJQQBGISA-N	475.252	3.034	50	40	JGGB	
COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCCC(C)C)c3ccccc32)cc(OC)c1OC	9487616	PGCOIENGFCWVEO-QOCHGBHMSA-N	476.533	3.300	50	40	JGGB	
CCn1c(NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)nc2ccccc2c1=O	9857369	MOEGVVBHECXCJU-UHFFFAOYSA-N	477.594	3.398	50	40	JGGB	
Cc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)C4CCCCC4)n12)CCCC3	13028036	IZGLUCPFOTVSMB-UHFFFAOYSA-N	458.613	3.346	50	40	JGGB	
O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccccn1	101089548	LCEWQDHFYGZIOT-CLCOLTQESA-N	456.344	3.158	50	40	JGGB	
N#CC1=C(N)n2c(sc(=O)/c2=C/c2c(F)cccc2Cl)=C(C#N)[C@@H]1c1c(F)cccc1Cl	103767981	ALWQTEHJHQIFQQ-CTUYBLSSSA-N	487.318	3.446	50	40	JGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC	408763011	GVBLIFSSCBRXTM-FBTHGLLTSA-N	461.584	3.246	50	40	JGGB	
Cc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(Cl)cc4)c(=O)c(C#N)c3C)cc2c1	409053705	HFBGDOCUBXNMJW-PPDIBHTLSA-N	472.892	3.392	50	40	JGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1	409272865	SZORDTSSOOQTCV-MUFRIFMGSA-N	488.544	3.096	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NNC(=S)Nc2ccccc2)c2ccccc2)cc1	2073078	CWVBYSXVZRGPBZ-UHFFFAOYSA-N	454.577	3.208	50	40	JGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	8435307	IPLWGDPSPKDGPG-LFTZEHOFSA-N	458.430	3.245	50	40	JGGB	
CS(=O)(=O)/C(C#N)=C\c1ccc(-n2cc(/C=C(/C#N)S(C)(=O)=O)c3ccccc32)cc1	8857427	JIAMOBCPYKOIKC-YZLQMOBTSA-N	451.529	3.449	50	40	JGGB	
COc1cc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc(OC)c1OC	9010533	OUWHQROZJXQZLA-IBGZPJMESA-N	494.504	3.346	50	40	JGGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1	9424708	SGVDHVHGKNSXIV-WYMPLXKRSA-N	466.889	3.106	50	40	JGGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1	14894408	JXHBKSAOERWCQF-AWXXVTGVSA-N	485.625	3.357	50	40	JGGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)C)c1ccccc1	59490151	LTFUJHRRQRRRTK-UHFFFAOYSA-N	454.346	3.165	50	40	JGGB	
CSCC[C@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	100178057	HQFUHOXYYXAZDG-QSAXNBNMSA-N	498.048	3.384	50	40	JGGB	
O=C(CCC(=O)NNC(=O)Cn1c(-c2ccccc2)cc2ccccc21)NCc1ccc2c(c1)OCO2	199418968	HJSKQYTXRPTKOX-UHFFFAOYSA-N	498.539	3.281	50	40	JGGB	
CCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cccc1OC	408971650	KTUZIWISTPINKC-XYCMHOAJSA-N	455.555	3.462	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(Cl)c1	409165792	AAWMJRXZRVRUFB-VULFUBBASA-N	458.946	3.286	50	40	JGGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])cc1	409219662	OWMHZCZXTQASBG-QRVIBDJDSA-N	464.390	3.495	50	40	JGGB	
CCOc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1OCc1ccc(F)cc1	2311592	XIGPUWVJUIJLKO-WYMPLXKRSA-N	455.446	3.367	50	40	JGGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)c1-c1ccccc1	2345755	NJOFTCWQCZWQJP-CCVNUDIWSA-N	498.478	3.382	50	40	JGGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c(O)c([N+](=O)[O-])c1	8780686	BDSDSYROJCWSFQ-UFFVCSGVSA-N	474.271	3.080	50	40	JGGB	
CC/C(=N\NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20212034	JTSCULKFILOQST-XQNSMLJCSA-N	483.974	3.062	50	40	JGGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235040	MCLJUCUGHMURLN-OVNZKNECSA-N	458.430	3.245	50	40	JGGB	
O=C(CCCCCNC(=O)c1ccccc1Br)NN[C@H]1C(=O)Nc2ccccc21	100860127	UQUUATCGBYRDHH-LJQANCHMSA-N	459.344	3.054	50	40	JGGB	
O=C(CCCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1Cl	408645243	KNOYSUHPGWXBHF-UHFFFAOYSA-N	485.846	3.472	50	40	JGGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1cc(Cl)ccc1Cl	408683459	LHQASUSXXKLWGX-XOKVJCJLSA-N	463.111	3.046	50	40	JGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1	409005655	JASLUWSMHSUXAH-YZSQISJMSA-N	451.523	3.271	50	40	JGGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1Cl	409157109	OZPKTSJCYKNIDI-MUFRIFMGSA-N	492.963	3.475	50	40	JGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409161828	BCOOKFUXNGVHQO-RWPZCVJISA-N	494.935	3.133	50	40	JGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCC(=O)OC	409191335	VYKSMTMALOQBHX-ZSOIEALJSA-N	451.317	3.365	50	40	JGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1F	9980760	BFXJLXXNBJEXTG-PMACEKPBSA-N	453.495	3.244	50	40	JGGB	
CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1	29763268	HDWFUMKKMNGEDS-GXDBCPAMSA-N	492.410	3.128	50	40	JGGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	59427915	HLBPEBZYVLONKX-WGOQTCKBSA-N	481.574	3.353	50	40	JGGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408610333	SYIKOGBFSCPIGX-OPEKNORGSA-N	456.301	3.314	50	40	JGGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccc(O)cc1	408732782	YXLQWWCHDOIVFQ-KEBDBYFISA-N	475.328	3.343	50	40	JGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1	408778067	AACMGHFLBODCRK-CVKSISIWSA-N	495.557	3.356	50	40	JGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	409113697	FYTFSOXBNJILJV-HZHRSRAPSA-N	452.492	3.492	50	40	JGGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)cc(OC)c1OC	409222082	AORIPHRYPMQVEF-FMCGGJTJSA-N	469.406	3.197	50	40	JGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)cc1OCC	409309079	BCBGTGWDWVLFKC-MSXFZWOLSA-N	476.327	3.041	50	40	JGGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1	8817894	JKVCBWGHMMQHMR-JXAWBTAJSA-N	454.577	3.087	50	40	JGGB	
CCCCCn1nc(C(=O)NNC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)c2ccccc2c1=O	14241826	NDHCRTGILDHTJW-HSZRJFAPSA-N	490.482	3.188	50	40	JGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C	408610232	MWFPUUYWFLEIPQ-ZWGXDWAISA-N	489.370	3.140	50	40	JGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OCC)c1	409164752	NIOJQCLAWCYOMX-VULFUBBASA-N	474.945	3.123	50	40	JGGB